Bis[μ-2-(4-hydroxyphenyl)acetato]-κ3O,O′:O;κ3O:O,O′-bis{aqua(4,4′-bipyridine-κN)[2-(4-hydroxyphenyl)acetato-κ2O,O′]erbium(III)} monohydrate
Identifieur interne : 000350 ( Pmc/Corpus ); précédent : 000349; suivant : 000351Bis[μ-2-(4-hydroxyphenyl)acetato]-κ3O,O′:O;κ3O:O,O′-bis{aqua(4,4′-bipyridine-κN)[2-(4-hydroxyphenyl)acetato-κ2O,O′]erbium(III)} monohydrate
Auteurs : Jia-Lu Liu ; Jian-Feng Liu ; Guo-Liang ZhaoSource :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2010.
Abstract
The title dinuclear complex, [Er2(C8H7O3)6(C10H8N2)2(H2O)2]·H2O, contains two ErIII atoms in the asymmetric unit, six 2-(4-hydroxyphenyl)acetate (PAA) anions, two 4,4′-bipyridine (bipy) molecules, two coordinated water molecules and one solvent water molecule. The central ErIII atoms are nine-coordinated. The coordination environment includes six O atoms from three PAA anions, one bridging O atom from a PAA anion, one O atom from a water molecule and an N atom from a bipy ligand in a distorted tricapped trigonal–prismatic geometry. The occurrence of numerous O—H⋯O and O—H⋯N hydrogen bonds involving coordinated and noncoordinated water as well as bipy groups builds up an intricate three-dimensional network.
Url:
DOI: 10.1107/S1600536810044752
PubMed: 21589217
PubMed Central: 3011679
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PMC:3011679Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Bis[μ-2-(4-hydroxyphenyl)acetato]-κ<sup>3</sup><italic>O</italic>,<italic>O</italic>′:<italic>O</italic>;κ<sup>3</sup><italic>O</italic>:<italic>O</italic>,<italic>O</italic>′-bis{aqua(4,4′-bipyridine-κ<italic>N</italic>)[2-(4-hydroxyphenyl)acetato-κ<sup>2</sup><italic>O</italic>,<italic>O</italic>′]erbium(III)} monohydrate</title><author><name sortKey="Liu, Jia Lu" sort="Liu, Jia Lu" uniqKey="Liu J" first="Jia-Lu" last="Liu">Jia-Lu Liu</name><affiliation><nlm:aff id="a">College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People’s Republic of China, and Zhejiang Normal University Xingzhi College, Jinhua 321004,<country>People’s Republic of China</country></nlm:aff></affiliation></author><author><name sortKey="Liu, Jian Feng" sort="Liu, Jian Feng" uniqKey="Liu J" first="Jian-Feng" last="Liu">Jian-Feng Liu</name><affiliation><nlm:aff id="a">College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People’s Republic of China, and Zhejiang Normal University Xingzhi College, Jinhua 321004,<country>People’s Republic of China</country></nlm:aff></affiliation></author><author><name sortKey="Zhao, Guo Liang" sort="Zhao, Guo Liang" uniqKey="Zhao G" first="Guo-Liang" last="Zhao">Guo-Liang Zhao</name><affiliation><nlm:aff id="a">College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People’s Republic of China, and Zhejiang Normal University Xingzhi College, Jinhua 321004,<country>People’s Republic of China</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21589217</idno><idno type="pmc">3011679</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011679</idno><idno type="RBID">PMC:3011679</idno><idno type="doi">10.1107/S1600536810044752</idno><date when="2010">2010</date><idno type="wicri:Area/Pmc/Corpus">000350</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000350</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Bis[μ-2-(4-hydroxyphenyl)acetato]-κ<sup>3</sup><italic>O</italic>,<italic>O</italic>′:<italic>O</italic>;κ<sup>3</sup><italic>O</italic>:<italic>O</italic>,<italic>O</italic>′-bis{aqua(4,4′-bipyridine-κ<italic>N</italic>)[2-(4-hydroxyphenyl)acetato-κ<sup>2</sup><italic>O</italic>,<italic>O</italic>′]erbium(III)} monohydrate</title><author><name sortKey="Liu, Jia Lu" sort="Liu, Jia Lu" uniqKey="Liu J" first="Jia-Lu" last="Liu">Jia-Lu Liu</name><affiliation><nlm:aff id="a">College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People’s Republic of China, and Zhejiang Normal University Xingzhi College, Jinhua 321004,<country>People’s Republic of China</country></nlm:aff></affiliation></author><author><name sortKey="Liu, Jian Feng" sort="Liu, Jian Feng" uniqKey="Liu J" first="Jian-Feng" last="Liu">Jian-Feng Liu</name><affiliation><nlm:aff id="a">College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People’s Republic of China, and Zhejiang Normal University Xingzhi College, Jinhua 321004,<country>People’s Republic of China</country></nlm:aff></affiliation></author><author><name sortKey="Zhao, Guo Liang" sort="Zhao, Guo Liang" uniqKey="Zhao G" first="Guo-Liang" last="Zhao">Guo-Liang Zhao</name><affiliation><nlm:aff id="a">College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People’s Republic of China, and Zhejiang Normal University Xingzhi College, Jinhua 321004,<country>People’s Republic of China</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2010">2010</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The title dinuclear complex, [Er<sub>2</sub>(C<sub>8</sub>H<sub>7</sub>O<sub>3</sub>)<sub>6</sub>(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O, contains two Er<sup>III</sup> atoms in the asymmetric unit, six 2-(4-hydroxyphenyl)acetate (PAA) anions, two 4,4′-bipyridine (bipy) molecules, two coordinated water molecules and one solvent water molecule. The central Er<sup>III</sup> atoms are nine-coordinated. The coordination environment includes six O atoms from three PAA anions, one bridging O atom from a PAA anion, one O atom from a water molecule and an N atom from a bipy ligand in a distorted tricapped trigonal–prismatic geometry. The occurrence of numerous O—H⋯O and O—H⋯N hydrogen bonds involving coordinated and noncoordinated water as well as bipy groups builds up an intricate three-dimensional network.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title></journal-title-group><issn pub-type="epub">1600-5368</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">21589217</article-id><article-id pub-id-type="pmc">3011679</article-id><article-id pub-id-type="publisher-id">om2372</article-id><article-id pub-id-type="doi">10.1107/S1600536810044752</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536810044752</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>Bis[μ-2-(4-hydroxyphenyl)acetato]-κ<sup>3</sup><italic>O</italic>,<italic>O</italic>′:<italic>O</italic>;κ<sup>3</sup><italic>O</italic>:<italic>O</italic>,<italic>O</italic>′-bis{aqua(4,4′-bipyridine-κ<italic>N</italic>)[2-(4-hydroxyphenyl)acetato-κ<sup>2</sup><italic>O</italic>,<italic>O</italic>′]erbium(III)} monohydrate</article-title><alt-title><italic>[Er<sub>2</sub>(C<sub>8</sub>H<sub>7</sub>O<sub>3</sub>)<sub>6</sub>(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Liu</surname><given-names>Jia-Lu</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Liu</surname><given-names>Jian-Feng</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Zhao</surname><given-names>Guo-Liang</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><aff id="a"><label>a</label>College of Chemistry and Life Sciences, Zhejiang Normal University, Jinhua 321004, People’s Republic of China, and Zhejiang Normal University Xingzhi College, Jinhua 321004,<country>People’s Republic of China</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>sky53@zjnu.cn</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>12</month><year>2010</year></pub-date><pub-date pub-type="epub"><day>06</day><month>11</month><year>2010</year></pub-date><pub-date pub-type="pmc-release"><day>06</day><month>11</month><year>2010</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>66</volume><issue>Pt 12</issue><issue-id pub-id-type="publisher-id">e101200</issue-id><fpage>m1513</fpage><lpage>m1513</lpage><history><date date-type="received"><day>17</day><month>10</month><year>2010</year></date><date date-type="accepted"><day>02</day><month>11</month><year>2010</year></date></history><permissions><copyright-statement>© Liu et al. 2010</copyright-statement><copyright-year>2010</copyright-year><license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p></license></permissions><self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536810044752">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The title dinuclear complex, [Er<sub>2</sub>(C<sub>8</sub>H<sub>7</sub>O<sub>3</sub>)<sub>6</sub>(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O, contains two Er<sup>III</sup> atoms in the asymmetric unit, six 2-(4-hydroxyphenyl)acetate (PAA) anions, two 4,4′-bipyridine (bipy) molecules, two coordinated water molecules and one solvent water molecule. The central Er<sup>III</sup> atoms are nine-coordinated. The coordination environment includes six O atoms from three PAA anions, one bridging O atom from a PAA anion, one O atom from a water molecule and an N atom from a bipy ligand in a distorted tricapped trigonal–prismatic geometry. The occurrence of numerous O—H⋯O and O—H⋯N hydrogen bonds involving coordinated and noncoordinated water as well as bipy groups builds up an intricate three-dimensional network.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature</title><p>For the crystal structure of a related thulium compound with 1,10-phenanthroline instead of 4,4′-bipyridine, see: Liu <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb2"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-66-m1513-scheme1.jpg" position="float"></graphic></chem-struct></p></sec><sec sec-type="" id="sec2"><title>Experimental</title><sec id="sec2.1"><title></title><sec id="sec2.1.1"><title>Crystal data</title><p><list list-type="simple"><list-item><p>[Er<sub>2</sub>(C<sub>8</sub>H<sub>7</sub>O<sub>3</sub>)<sub>6</sub>(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 1607.76</p></list-item><list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-66-m1513-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 11.7043 (2) Å</p></list-item><list-item><p><italic>b</italic> = 16.1714 (3) Å</p></list-item><list-item><p><italic>c</italic> = 18.4117 (3) Å</p></list-item><list-item><p>α = 83.350 (1)°</p></list-item><list-item><p>β = 72.339 (1)°</p></list-item><list-item><p>γ = 71.359 (1)°</p></list-item><list-item><p><italic>V</italic> = 3145.74 (10) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 2</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 2.73 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 296 K</p></list-item><list-item><p>0.19 × 0.15 × 0.10 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection</title><p><list list-type="simple"><list-item><p>Bruker APEXII diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>SADABS</italic>; Sheldrick, 1996<xref ref-type="bibr" rid="bb3"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.620, <italic>T</italic><sub>max</sub> = 0.761</p></list-item><list-item><p>47710 measured reflections</p></list-item><list-item><p>14291 independent reflections</p></list-item><list-item><p>12810 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.020</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement</title><p><list list-type="simple"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.018</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.044</p></list-item><list-item><p><italic>S</italic> = 1.03</p></list-item><list-item><p>14291 reflections</p></list-item><list-item><p>875 parameters</p></list-item><list-item><p>9 restraints</p></list-item><list-item><p>H atoms treated by a mixture of independent and constrained refinement</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.41 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.80 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e723"><title></title><p>Data collection: <italic>APEX2</italic> (Bruker, 2006<xref ref-type="bibr" rid="bb1"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 2006<xref ref-type="bibr" rid="bb1"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>SHELXS97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb4"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb4"> ▶</xref>); molecular graphics: <italic>SHELXTL</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb4"> ▶</xref>); software used to prepare material for publication: <italic>SHELXL97</italic>.</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data" xlink:href="e-66-m1513-sup1.cif" position="float" xlink:type="simple"><p>Crystal structure: contains datablocks I, global. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536810044752/om2372sup1.cif">10.1107/S1600536810044752/om2372sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-66-m1513-sup1.cif" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material content-type="local-data" xlink:href="e-66-m1513-Isup2.hkl" position="float" xlink:type="simple"><p>Structure factors: contains datablocks I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536810044752/om2372Isup2.hkl">10.1107/S1600536810044752/om2372Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-66-m1513-Isup2.hkl" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material position="float" xlink:type="simple"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?om2372&file=om2372sup0.html&mime=text/html" xlink:type="simple"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?om2372sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?om2372&checkcif=yes" xlink:type="simple">checkCIF report</ext-link></p></supplementary-material></sec></body><back><fn-group><fn id="fnu1"><p>Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?om2372">OM2372</ext-link>).</p></fn></fn-group><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>The design and synthesis of lanthanide carboxylic metal–organic complexes has
been of interest for decades owing to their potential practical applications,
such as fluorescence and magnetism. We recently published the structure of a
thulium(III) complex with coordination provided by 2-(4-hydroxyphenyl)acetate
and 1,10-phenanthroline. (Liu <italic>et al.</italic>, 2010). In this paper, we
report
the related crystal structure of a new erbium(III) complex with the ligand
2-(4-hydroxyphenyl)acetate and 4,4'-bipyridine instead of 1,10-phenathroline.
The dinuclear complex, [Er(C<sub>8</sub>H<sub>7</sub>O<sub>3</sub>)<sub>3</sub>(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>) (H<sub>2</sub>0)]<sub>2</sub>.(H<sub>2</sub>0),
contains two erbium(III) ions in the asymmetric unit, six
2-(4-hydroxyphenyl)acetate (PAA) anions, two 4,4'-bipyridine molecules (bipy),
as well as two coordinated water molecules. There is one solvate water
molecule. The central Er ions are nine coordinate. The have similar
coordination spheres, which include six O atoms from three
2-(4-hydroxyphenyl)acetate ligands, one bridging O atom from a neighboring PAA
ligand, one O atom from a water molecule and a N atom from bipy ligand in a
distorted tricapped trigonal-prismatic geometry. In the species, the Er's are
coordinated by two modes, bridging and bridging tridentate (Fig. 1). Each Er is
in a distorted tricapped trigonal-prismatic geometry. Futhermore, the
asymmetric unit contains one solvent water molecules (Fig. 1). The occurrence
of numerous O—H···O and O—H···N hydrogen bonds involving coordinated and
non-coordinated water as well as bipyridine groups builds up an intricate
three-dimensionnal network (Table 1).</p></sec><sec id="experimental"><title>Experimental </title><p>All reagents and solvents used were of commercially available quality and were
used without further purification. Para-hydroxyphenylacetic acid (HPAA)
(3 mmol) and sodium hydroxide (3 mmol) were mixed together in water (10 ml),
then Er[(NO<sub>3</sub>)<sub>3</sub>] (1 mmol) dissolved in water (10 ml) was added into the
above solution. After stirring for one hour, an ethanol (5 ml) solution of
4,4'-bipyridine (1 mmol) was slowly dripped into the above solution with
stirring for three hours. After filtration, the filtrate was allowed to stand
at room temperature, and single crystals suitable for X-ray work were obtained
after one week.</p></sec><sec id="refinement"><title>Refinement </title><p>All H atoms attached to C atoms and O(hydroxyl) atom were fixed geometrically
and treated as riding with C—H = 0.97 Å (methylene) or 0.93 Å (aromatic)
and O—H = 0.82 Å with <italic>U</italic><sub>iso</sub>(H) = 1.2<italic>U</italic><sub>eq</sub>(C) or
<italic>U</italic><sub>iso</sub>(H) = 1.5<italic>U</italic><sub>eq</sub>(O). H atoms of the water molecule were
located in a difference Fourier map and included in the subsequent refinement
using restraints (O—H = 0.82 (1) Å and H···H= 1.39 (2) Å) with
<italic>U</italic><sub>iso</sub>(H) = 1.5<italic>U</italic><sub>eq</sub>(O). In the last cycles of refinement they
were treated as riding on their parent O atom.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>The molecular structure of the title complex, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level (The H atoms not involved in hydrogen bonding were omitted for clarity).</p></caption><graphic xlink:href="e-66-m1513-fig1"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e159"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">[Er<sub>2</sub>(C<sub>8</sub>H<sub>7</sub>O<sub>3</sub>)<sub>6</sub>(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]·H<sub>2</sub>O</td><td rowspan="1" colspan="1"><italic>Z</italic> = 2</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 1607.76</td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 1608</td></tr><tr><td rowspan="1" colspan="1">Triclinic, <italic>P</italic>1</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 1.697 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Hall symbol: -P 1</td><td rowspan="1" colspan="1">Mo <italic>K</italic>α radiation, λ = 0.71073 Å</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 11.7043 (2) Å</td><td rowspan="1" colspan="1">Cell parameters from 9914 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 16.1714 (3) Å</td><td rowspan="1" colspan="1">θ = 1.8–27.7°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 18.4117 (3) Å</td><td rowspan="1" colspan="1">µ = 2.73 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">α = 83.350 (1)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 296 K</td></tr><tr><td rowspan="1" colspan="1">β = 72.339 (1)°</td><td rowspan="1" colspan="1">Block, brown</td></tr><tr><td rowspan="1" colspan="1">γ = 71.359 (1)°</td><td rowspan="1" colspan="1">0.19 × 0.15 × 0.10 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 3145.74 (10) Å<sup>3</sup></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e322"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Bruker APEXII diffractometer</td><td rowspan="1" colspan="1">14291 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1">12810 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">graphite</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.020</td></tr><tr><td rowspan="1" colspan="1">φ and ω scans</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 27.7°, θ<sub>min</sub> = 1.8°</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (<italic>SADABS</italic>; Sheldrick, 1996)</td><td rowspan="1" colspan="1"><italic>h</italic> = −15→15</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.620, <italic>T</italic><sub>max</sub> = 0.761</td><td rowspan="1" colspan="1"><italic>k</italic> = −21→21</td></tr><tr><td rowspan="1" colspan="1">47710 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −24→24</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e439"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Refinement on <italic>F</italic><sup>2</sup></td><td rowspan="1" colspan="1">Primary atom site location: structure-invariant direct methods</td></tr><tr><td rowspan="1" colspan="1">Least-squares matrix: full</td><td rowspan="1" colspan="1">Secondary atom site location: difference Fourier map</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.018</td><td rowspan="1" colspan="1">Hydrogen site location: inferred from neighbouring sites</td></tr><tr><td rowspan="1" colspan="1"><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.044</td><td rowspan="1" colspan="1">H atoms treated by a mixture of independent and constrained refinement</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.03</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0177<italic>P</italic>)<sup>2</sup> + 1.8781<italic>P</italic>] where <italic>P</italic> = (<italic>F</italic><sub>o</sub><sup>2</sup> + 2<italic>F</italic><sub>c</sub><sup>2</sup>)/3</td></tr><tr><td rowspan="1" colspan="1">14291 reflections</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.002</td></tr><tr><td rowspan="1" colspan="1">875 parameters</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.41 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">9 restraints</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.79 e Å<sup>−</sup><sup>3</sup></td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e596"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.</td></tr><tr><td rowspan="1" colspan="1">Refinement. Refinement of <italic>F</italic><sup>2</sup> against ALL reflections. The weighted <italic>R</italic>-factor
<italic>wR</italic> and goodness of fit <italic>S</italic> are based on <italic>F</italic><sup>2</sup>, conventional
<italic>R</italic>-factors <italic>R</italic> are based on <italic>F</italic>, with <italic>F</italic> set to zero for
negative <italic>F</italic><sup>2</sup>. The threshold expression of <italic>F</italic><sup>2</sup> >
σ(<italic>F</italic><sup>2</sup>) is used only for calculating <italic>R</italic>-factors(gt) <italic>etc</italic>.
and is not relevant to the choice of reflections for refinement.
<italic>R</italic>-factors based on <italic>F</italic><sup>2</sup> are statistically about twice as large
as those based on <italic>F</italic>, and <italic>R</italic>- factors based on ALL data will be
even larger.</td></tr></table></table-wrap></sec><sec id="tablewrapcoords"><title>Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e695"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>x</italic></td><td rowspan="1" colspan="1"><italic>y</italic></td><td rowspan="1" colspan="1"><italic>z</italic></td><td rowspan="1" colspan="1"><italic>U</italic><sub>iso</sub>*/<italic>U</italic><sub>eq</sub></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Er1</td><td rowspan="1" colspan="1">0.272626 (7)</td><td rowspan="1" colspan="1">0.363745 (5)</td><td rowspan="1" colspan="1">0.282022 (5)</td><td rowspan="1" colspan="1">0.02268 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Er2</td><td rowspan="1" colspan="1">0.131164 (7)</td><td rowspan="1" colspan="1">0.207912 (5)</td><td rowspan="1" colspan="1">0.197904 (5)</td><td rowspan="1" colspan="1">0.02233 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.31200 (15)</td><td rowspan="1" colspan="1">0.50792 (10)</td><td rowspan="1" colspan="1">0.28188 (10)</td><td rowspan="1" colspan="1">0.0307 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.3925 (2)</td><td rowspan="1" colspan="1">0.92876 (14)</td><td rowspan="1" colspan="1">0.22401 (18)</td><td rowspan="1" colspan="1">0.0643 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.08811 (16)</td><td rowspan="1" colspan="1">0.06535 (10)</td><td rowspan="1" colspan="1">0.19105 (10)</td><td rowspan="1" colspan="1">0.0298 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.0361 (2)</td><td rowspan="1" colspan="1">−0.36355 (13)</td><td rowspan="1" colspan="1">0.22761 (17)</td><td rowspan="1" colspan="1">0.0626 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.2256 (2)</td><td rowspan="1" colspan="1">0.50765 (14)</td><td rowspan="1" colspan="1">0.51543 (12)</td><td rowspan="1" colspan="1">0.0334 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.3418 (2)</td><td rowspan="1" colspan="1">0.51383 (15)</td><td rowspan="1" colspan="1">0.47165 (14)</td><td rowspan="1" colspan="1">0.0412 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2</td><td rowspan="1" colspan="1">0.3984</td><td rowspan="1" colspan="1">0.4669</td><td rowspan="1" colspan="1">0.4422</td><td rowspan="1" colspan="1">0.049*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.3753 (2)</td><td rowspan="1" colspan="1">0.58859 (16)</td><td rowspan="1" colspan="1">0.47094 (15)</td><td rowspan="1" colspan="1">0.0453 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3</td><td rowspan="1" colspan="1">0.4536</td><td rowspan="1" colspan="1">0.5918</td><td rowspan="1" colspan="1">0.4408</td><td rowspan="1" colspan="1">0.054*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.2932 (2)</td><td rowspan="1" colspan="1">0.65817 (15)</td><td rowspan="1" colspan="1">0.51468 (14)</td><td rowspan="1" colspan="1">0.0400 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.1783 (2)</td><td rowspan="1" colspan="1">0.65263 (15)</td><td rowspan="1" colspan="1">0.56002 (15)</td><td rowspan="1" colspan="1">0.0446 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H5</td><td rowspan="1" colspan="1">0.1234</td><td rowspan="1" colspan="1">0.6989</td><td rowspan="1" colspan="1">0.5909</td><td rowspan="1" colspan="1">0.054*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.1447 (2)</td><td rowspan="1" colspan="1">0.57835 (15)</td><td rowspan="1" colspan="1">0.55962 (14)</td><td rowspan="1" colspan="1">0.0413 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6</td><td rowspan="1" colspan="1">0.0661</td><td rowspan="1" colspan="1">0.5756</td><td rowspan="1" colspan="1">0.5896</td><td rowspan="1" colspan="1">0.050*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.1869 (2)</td><td rowspan="1" colspan="1">0.42605 (15)</td><td rowspan="1" colspan="1">0.51792 (13)</td><td rowspan="1" colspan="1">0.0390 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7A</td><td rowspan="1" colspan="1">0.2319</td><td rowspan="1" colspan="1">0.3805</td><td rowspan="1" colspan="1">0.5471</td><td rowspan="1" colspan="1">0.047*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7B</td><td rowspan="1" colspan="1">0.0977</td><td rowspan="1" colspan="1">0.4386</td><td rowspan="1" colspan="1">0.5434</td><td rowspan="1" colspan="1">0.047*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.2142 (2)</td><td rowspan="1" colspan="1">0.39421 (13)</td><td rowspan="1" colspan="1">0.43890 (12)</td><td rowspan="1" colspan="1">0.0331 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.62243 (19)</td><td rowspan="1" colspan="1">0.09048 (13)</td><td rowspan="1" colspan="1">0.30165 (14)</td><td rowspan="1" colspan="1">0.0361 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.6034 (3)</td><td rowspan="1" colspan="1">0.05923 (15)</td><td rowspan="1" colspan="1">0.37554 (15)</td><td rowspan="1" colspan="1">0.0485 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H10</td><td rowspan="1" colspan="1">0.5904</td><td rowspan="1" colspan="1">0.0966</td><td rowspan="1" colspan="1">0.4140</td><td rowspan="1" colspan="1">0.058*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.6029 (3)</td><td rowspan="1" colspan="1">−0.02615 (15)</td><td rowspan="1" colspan="1">0.39469 (14)</td><td rowspan="1" colspan="1">0.0475 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H11</td><td rowspan="1" colspan="1">0.5895</td><td rowspan="1" colspan="1">−0.0456</td><td rowspan="1" colspan="1">0.4452</td><td rowspan="1" colspan="1">0.057*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.6224 (2)</td><td rowspan="1" colspan="1">−0.08167 (13)</td><td rowspan="1" colspan="1">0.33793 (13)</td><td rowspan="1" colspan="1">0.0360 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.6402 (2)</td><td rowspan="1" colspan="1">−0.05169 (15)</td><td rowspan="1" colspan="1">0.26370 (14)</td><td rowspan="1" colspan="1">0.0437 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13</td><td rowspan="1" colspan="1">0.6525</td><td rowspan="1" colspan="1">−0.0890</td><td rowspan="1" colspan="1">0.2253</td><td rowspan="1" colspan="1">0.052*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.6399 (2)</td><td rowspan="1" colspan="1">0.03333 (15)</td><td rowspan="1" colspan="1">0.24595 (14)</td><td rowspan="1" colspan="1">0.0432 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14</td><td rowspan="1" colspan="1">0.6518</td><td rowspan="1" colspan="1">0.0529</td><td rowspan="1" colspan="1">0.1955</td><td rowspan="1" colspan="1">0.052*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.6248 (2)</td><td rowspan="1" colspan="1">0.18284 (14)</td><td rowspan="1" colspan="1">0.28110 (18)</td><td rowspan="1" colspan="1">0.0479 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15A</td><td rowspan="1" colspan="1">0.6902</td><td rowspan="1" colspan="1">0.1825</td><td rowspan="1" colspan="1">0.2337</td><td rowspan="1" colspan="1">0.058*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15B</td><td rowspan="1" colspan="1">0.6476</td><td rowspan="1" colspan="1">0.2040</td><td rowspan="1" colspan="1">0.3203</td><td rowspan="1" colspan="1">0.058*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.50311 (18)</td><td rowspan="1" colspan="1">0.24622 (12)</td><td rowspan="1" colspan="1">0.27212 (12)</td><td rowspan="1" colspan="1">0.0295 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.2730 (2)</td><td rowspan="1" colspan="1">0.45397 (14)</td><td rowspan="1" colspan="1">0.01310 (12)</td><td rowspan="1" colspan="1">0.0394 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.1471 (2)</td><td rowspan="1" colspan="1">0.50128 (17)</td><td rowspan="1" colspan="1">0.02819 (13)</td><td rowspan="1" colspan="1">0.0451 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18</td><td rowspan="1" colspan="1">0.0866</td><td rowspan="1" colspan="1">0.4745</td><td rowspan="1" colspan="1">0.0549</td><td rowspan="1" colspan="1">0.054*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.1091 (2)</td><td rowspan="1" colspan="1">0.58785 (16)</td><td rowspan="1" colspan="1">0.00428 (14)</td><td rowspan="1" colspan="1">0.0429 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H19</td><td rowspan="1" colspan="1">0.0240</td><td rowspan="1" colspan="1">0.6187</td><td rowspan="1" colspan="1">0.0150</td><td rowspan="1" colspan="1">0.051*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.1987 (2)</td><td rowspan="1" colspan="1">0.62797 (14)</td><td rowspan="1" colspan="1">−0.03568 (13)</td><td rowspan="1" colspan="1">0.0364 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.3247 (2)</td><td rowspan="1" colspan="1">0.58185 (14)</td><td rowspan="1" colspan="1">−0.05022 (14)</td><td rowspan="1" colspan="1">0.0390 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H21</td><td rowspan="1" colspan="1">0.3852</td><td rowspan="1" colspan="1">0.6088</td><td rowspan="1" colspan="1">−0.0763</td><td rowspan="1" colspan="1">0.047*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.3609 (2)</td><td rowspan="1" colspan="1">0.49584 (14)</td><td rowspan="1" colspan="1">−0.02606 (14)</td><td rowspan="1" colspan="1">0.0396 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H22</td><td rowspan="1" colspan="1">0.4461</td><td rowspan="1" colspan="1">0.4654</td><td rowspan="1" colspan="1">−0.0363</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.3133 (3)</td><td rowspan="1" colspan="1">0.36015 (15)</td><td rowspan="1" colspan="1">0.04024 (14)</td><td rowspan="1" colspan="1">0.0541 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H23A</td><td rowspan="1" colspan="1">0.2593</td><td rowspan="1" colspan="1">0.3298</td><td rowspan="1" colspan="1">0.0317</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H23B</td><td rowspan="1" colspan="1">0.3986</td><td rowspan="1" colspan="1">0.3319</td><td rowspan="1" colspan="1">0.0105</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.3073 (2)</td><td rowspan="1" colspan="1">0.35285 (12)</td><td rowspan="1" colspan="1">0.12354 (12)</td><td rowspan="1" colspan="1">0.0304 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.1423 (2)</td><td rowspan="1" colspan="1">0.11464 (14)</td><td rowspan="1" colspan="1">0.47612 (12)</td><td rowspan="1" colspan="1">0.0350 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.0399 (2)</td><td rowspan="1" colspan="1">0.10725 (15)</td><td rowspan="1" colspan="1">0.53574 (13)</td><td rowspan="1" colspan="1">0.0402 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H26</td><td rowspan="1" colspan="1">−0.0287</td><td rowspan="1" colspan="1">0.1565</td><td rowspan="1" colspan="1">0.5514</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.0380 (2)</td><td rowspan="1" colspan="1">0.02738 (15)</td><td rowspan="1" colspan="1">0.57261 (13)</td><td rowspan="1" colspan="1">0.0397 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H27</td><td rowspan="1" colspan="1">−0.0311</td><td rowspan="1" colspan="1">0.0234</td><td rowspan="1" colspan="1">0.6128</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.1386 (2)</td><td rowspan="1" colspan="1">−0.04556 (13)</td><td rowspan="1" colspan="1">0.54937 (12)</td><td rowspan="1" colspan="1">0.0332 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.2423 (2)</td><td rowspan="1" colspan="1">−0.03927 (15)</td><td rowspan="1" colspan="1">0.49027 (13)</td><td rowspan="1" colspan="1">0.0394 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H29</td><td rowspan="1" colspan="1">0.3108</td><td rowspan="1" colspan="1">−0.0885</td><td rowspan="1" colspan="1">0.4747</td><td rowspan="1" colspan="1">0.047*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.2433 (2)</td><td rowspan="1" colspan="1">0.04070 (15)</td><td rowspan="1" colspan="1">0.45467 (13)</td><td rowspan="1" colspan="1">0.0400 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H30</td><td rowspan="1" colspan="1">0.3135</td><td rowspan="1" colspan="1">0.0448</td><td rowspan="1" colspan="1">0.4154</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.1444 (3)</td><td rowspan="1" colspan="1">0.19981 (14)</td><td rowspan="1" colspan="1">0.43375 (13)</td><td rowspan="1" colspan="1">0.0415 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H31A</td><td rowspan="1" colspan="1">0.0805</td><td rowspan="1" colspan="1">0.2468</td><td rowspan="1" colspan="1">0.4647</td><td rowspan="1" colspan="1">0.050*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H31B</td><td rowspan="1" colspan="1">0.2253</td><td rowspan="1" colspan="1">0.2083</td><td rowspan="1" colspan="1">0.4274</td><td rowspan="1" colspan="1">0.050*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.12247 (18)</td><td rowspan="1" colspan="1">0.20650 (12)</td><td rowspan="1" colspan="1">0.35667 (12)</td><td rowspan="1" colspan="1">0.0281 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">−0.25296 (17)</td><td rowspan="1" colspan="1">0.47932 (12)</td><td rowspan="1" colspan="1">0.24488 (12)</td><td rowspan="1" colspan="1">0.0282 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">−0.2103 (2)</td><td rowspan="1" colspan="1">0.51785 (14)</td><td rowspan="1" colspan="1">0.17454 (13)</td><td rowspan="1" colspan="1">0.0352 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H34</td><td rowspan="1" colspan="1">−0.1721</td><td rowspan="1" colspan="1">0.4834</td><td rowspan="1" colspan="1">0.1315</td><td rowspan="1" colspan="1">0.042*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">−0.2233 (2)</td><td rowspan="1" colspan="1">0.60557 (14)</td><td rowspan="1" colspan="1">0.16719 (13)</td><td rowspan="1" colspan="1">0.0378 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H35</td><td rowspan="1" colspan="1">−0.1947</td><td rowspan="1" colspan="1">0.6300</td><td rowspan="1" colspan="1">0.1195</td><td rowspan="1" colspan="1">0.045*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">−0.2787 (2)</td><td rowspan="1" colspan="1">0.65764 (13)</td><td rowspan="1" colspan="1">0.23040 (13)</td><td rowspan="1" colspan="1">0.0350 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">−0.3217 (2)</td><td rowspan="1" colspan="1">0.62089 (13)</td><td rowspan="1" colspan="1">0.30101 (13)</td><td rowspan="1" colspan="1">0.0379 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H37</td><td rowspan="1" colspan="1">−0.3594</td><td rowspan="1" colspan="1">0.6555</td><td rowspan="1" colspan="1">0.3439</td><td rowspan="1" colspan="1">0.045*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">−0.3084 (2)</td><td rowspan="1" colspan="1">0.53220 (13)</td><td rowspan="1" colspan="1">0.30768 (13)</td><td rowspan="1" colspan="1">0.0346 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H38</td><td rowspan="1" colspan="1">−0.3374</td><td rowspan="1" colspan="1">0.5079</td><td rowspan="1" colspan="1">0.3554</td><td rowspan="1" colspan="1">0.042*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">−0.24006 (18)</td><td rowspan="1" colspan="1">0.38311 (12)</td><td rowspan="1" colspan="1">0.25171 (14)</td><td rowspan="1" colspan="1">0.0346 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H39A</td><td rowspan="1" colspan="1">−0.2849</td><td rowspan="1" colspan="1">0.3703</td><td rowspan="1" colspan="1">0.3032</td><td rowspan="1" colspan="1">0.042*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H39B</td><td rowspan="1" colspan="1">−0.2806</td><td rowspan="1" colspan="1">0.3702</td><td rowspan="1" colspan="1">0.2175</td><td rowspan="1" colspan="1">0.042*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">−0.10703 (18)</td><td rowspan="1" colspan="1">0.32306 (12)</td><td rowspan="1" colspan="1">0.23417 (11)</td><td rowspan="1" colspan="1">0.0272 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.2330 (2)</td><td rowspan="1" colspan="1">0.05678 (14)</td><td rowspan="1" colspan="1">−0.04405 (12)</td><td rowspan="1" colspan="1">0.0374 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.3521 (2)</td><td rowspan="1" colspan="1">0.00595 (15)</td><td rowspan="1" colspan="1">−0.04052 (13)</td><td rowspan="1" colspan="1">0.0391 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H42</td><td rowspan="1" colspan="1">0.4083</td><td rowspan="1" colspan="1">0.0334</td><td rowspan="1" colspan="1">−0.0359</td><td rowspan="1" colspan="1">0.047*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">0.3895 (2)</td><td rowspan="1" colspan="1">−0.08380 (15)</td><td rowspan="1" colspan="1">−0.04370 (14)</td><td rowspan="1" colspan="1">0.0423 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H43</td><td rowspan="1" colspan="1">0.4702</td><td rowspan="1" colspan="1">−0.1162</td><td rowspan="1" colspan="1">−0.0420</td><td rowspan="1" colspan="1">0.051*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">0.3063 (2)</td><td rowspan="1" colspan="1">−0.12537 (15)</td><td rowspan="1" colspan="1">−0.04945 (14)</td><td rowspan="1" colspan="1">0.0447 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">0.1879 (2)</td><td rowspan="1" colspan="1">−0.07640 (16)</td><td rowspan="1" colspan="1">−0.05424 (15)</td><td rowspan="1" colspan="1">0.0468 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H45</td><td rowspan="1" colspan="1">0.1320</td><td rowspan="1" colspan="1">−0.1040</td><td rowspan="1" colspan="1">−0.0591</td><td rowspan="1" colspan="1">0.056*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.1527 (2)</td><td rowspan="1" colspan="1">0.01357 (16)</td><td rowspan="1" colspan="1">−0.05181 (14)</td><td rowspan="1" colspan="1">0.0432 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H46</td><td rowspan="1" colspan="1">0.0731</td><td rowspan="1" colspan="1">0.0459</td><td rowspan="1" colspan="1">−0.0555</td><td rowspan="1" colspan="1">0.052*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C47</td><td rowspan="1" colspan="1">0.1901 (3)</td><td rowspan="1" colspan="1">0.15508 (15)</td><td rowspan="1" colspan="1">−0.03735 (13)</td><td rowspan="1" colspan="1">0.0435 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H47A</td><td rowspan="1" colspan="1">0.2530</td><td rowspan="1" colspan="1">0.1788</td><td rowspan="1" colspan="1">−0.0725</td><td rowspan="1" colspan="1">0.052*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H47B</td><td rowspan="1" colspan="1">0.1124</td><td rowspan="1" colspan="1">0.1793</td><td rowspan="1" colspan="1">−0.0515</td><td rowspan="1" colspan="1">0.052*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C48</td><td rowspan="1" colspan="1">0.1693 (2)</td><td rowspan="1" colspan="1">0.18189 (12)</td><td rowspan="1" colspan="1">0.04274 (12)</td><td rowspan="1" colspan="1">0.0336 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C49</td><td rowspan="1" colspan="1">0.2288 (2)</td><td rowspan="1" colspan="1">0.57667 (13)</td><td rowspan="1" colspan="1">0.32171 (13)</td><td rowspan="1" colspan="1">0.0339 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H49</td><td rowspan="1" colspan="1">0.1554</td><td rowspan="1" colspan="1">0.5693</td><td rowspan="1" colspan="1">0.3557</td><td rowspan="1" colspan="1">0.041*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C50</td><td rowspan="1" colspan="1">0.2461 (2)</td><td rowspan="1" colspan="1">0.65824 (13)</td><td rowspan="1" colspan="1">0.31501 (13)</td><td rowspan="1" colspan="1">0.0353 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H50</td><td rowspan="1" colspan="1">0.1857</td><td rowspan="1" colspan="1">0.7041</td><td rowspan="1" colspan="1">0.3442</td><td rowspan="1" colspan="1">0.042*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C51</td><td rowspan="1" colspan="1">0.3543 (2)</td><td rowspan="1" colspan="1">0.67110 (13)</td><td rowspan="1" colspan="1">0.26442 (13)</td><td rowspan="1" colspan="1">0.0337 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C52</td><td rowspan="1" colspan="1">0.4421 (2)</td><td rowspan="1" colspan="1">0.59934 (14)</td><td rowspan="1" colspan="1">0.22450 (15)</td><td rowspan="1" colspan="1">0.0403 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H52</td><td rowspan="1" colspan="1">0.5170</td><td rowspan="1" colspan="1">0.6046</td><td rowspan="1" colspan="1">0.1909</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C53</td><td rowspan="1" colspan="1">0.4180 (2)</td><td rowspan="1" colspan="1">0.52015 (13)</td><td rowspan="1" colspan="1">0.23478 (14)</td><td rowspan="1" colspan="1">0.0380 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H53</td><td rowspan="1" colspan="1">0.4785</td><td rowspan="1" colspan="1">0.4728</td><td rowspan="1" colspan="1">0.2077</td><td rowspan="1" colspan="1">0.046*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C54</td><td rowspan="1" colspan="1">0.4495 (3)</td><td rowspan="1" colspan="1">0.86765 (18)</td><td rowspan="1" colspan="1">0.1723 (2)</td><td rowspan="1" colspan="1">0.0736 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H54</td><td rowspan="1" colspan="1">0.4982</td><td rowspan="1" colspan="1">0.8824</td><td rowspan="1" colspan="1">0.1255</td><td rowspan="1" colspan="1">0.088*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C55</td><td rowspan="1" colspan="1">0.4421 (2)</td><td rowspan="1" colspan="1">0.78325 (16)</td><td rowspan="1" colspan="1">0.18269 (19)</td><td rowspan="1" colspan="1">0.0596 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H55</td><td rowspan="1" colspan="1">0.4835</td><td rowspan="1" colspan="1">0.7434</td><td rowspan="1" colspan="1">0.1436</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C56</td><td rowspan="1" colspan="1">0.3724 (2)</td><td rowspan="1" colspan="1">0.75902 (13)</td><td rowspan="1" colspan="1">0.25202 (15)</td><td rowspan="1" colspan="1">0.0397 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C57</td><td rowspan="1" colspan="1">0.3164 (3)</td><td rowspan="1" colspan="1">0.82154 (16)</td><td rowspan="1" colspan="1">0.30725 (18)</td><td rowspan="1" colspan="1">0.0601 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H57</td><td rowspan="1" colspan="1">0.2712</td><td rowspan="1" colspan="1">0.8080</td><td rowspan="1" colspan="1">0.3557</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C58</td><td rowspan="1" colspan="1">0.3277 (3)</td><td rowspan="1" colspan="1">0.90479 (18)</td><td rowspan="1" colspan="1">0.2903 (2)</td><td rowspan="1" colspan="1">0.0691 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H58</td><td rowspan="1" colspan="1">0.2869</td><td rowspan="1" colspan="1">0.9463</td><td rowspan="1" colspan="1">0.3281</td><td rowspan="1" colspan="1">0.083*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C59</td><td rowspan="1" colspan="1">0.1750 (2)</td><td rowspan="1" colspan="1">−0.00035 (13)</td><td rowspan="1" colspan="1">0.14942 (13)</td><td rowspan="1" colspan="1">0.0361 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H59</td><td rowspan="1" colspan="1">0.2488</td><td rowspan="1" colspan="1">0.0093</td><td rowspan="1" colspan="1">0.1182</td><td rowspan="1" colspan="1">0.043*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C60</td><td rowspan="1" colspan="1">0.1609 (2)</td><td rowspan="1" colspan="1">−0.08242 (13)</td><td rowspan="1" colspan="1">0.15041 (14)</td><td rowspan="1" colspan="1">0.0401 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H60</td><td rowspan="1" colspan="1">0.2235</td><td rowspan="1" colspan="1">−0.1257</td><td rowspan="1" colspan="1">0.1193</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C61</td><td rowspan="1" colspan="1">0.0545 (2)</td><td rowspan="1" colspan="1">−0.10022 (12)</td><td rowspan="1" colspan="1">0.19732 (13)</td><td rowspan="1" colspan="1">0.0343 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C62</td><td rowspan="1" colspan="1">−0.0381 (2)</td><td rowspan="1" colspan="1">−0.03086 (14)</td><td rowspan="1" colspan="1">0.23823 (14)</td><td rowspan="1" colspan="1">0.0396 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H62</td><td rowspan="1" colspan="1">−0.1135</td><td rowspan="1" colspan="1">−0.0386</td><td rowspan="1" colspan="1">0.2690</td><td rowspan="1" colspan="1">0.048*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C63</td><td rowspan="1" colspan="1">−0.0185 (2)</td><td rowspan="1" colspan="1">0.04953 (13)</td><td rowspan="1" colspan="1">0.23336 (14)</td><td rowspan="1" colspan="1">0.0361 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H63</td><td rowspan="1" colspan="1">−0.0825</td><td rowspan="1" colspan="1">0.0951</td><td rowspan="1" colspan="1">0.2609</td><td rowspan="1" colspan="1">0.043*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C64</td><td rowspan="1" colspan="1">0.1158 (4)</td><td rowspan="1" colspan="1">−0.33945 (17)</td><td rowspan="1" colspan="1">0.16761 (19)</td><td rowspan="1" colspan="1">0.0669 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H64</td><td rowspan="1" colspan="1">0.1706</td><td rowspan="1" colspan="1">−0.3818</td><td rowspan="1" colspan="1">0.1327</td><td rowspan="1" colspan="1">0.080*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C65</td><td rowspan="1" colspan="1">0.1225 (3)</td><td rowspan="1" colspan="1">−0.25481 (15)</td><td rowspan="1" colspan="1">0.15369 (17)</td><td rowspan="1" colspan="1">0.0588 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H65</td><td rowspan="1" colspan="1">0.1793</td><td rowspan="1" colspan="1">−0.2413</td><td rowspan="1" colspan="1">0.1100</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C66</td><td rowspan="1" colspan="1">0.0440 (2)</td><td rowspan="1" colspan="1">−0.19045 (13)</td><td rowspan="1" colspan="1">0.20547 (15)</td><td rowspan="1" colspan="1">0.0418 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C67</td><td rowspan="1" colspan="1">−0.0408 (2)</td><td rowspan="1" colspan="1">−0.21508 (16)</td><td rowspan="1" colspan="1">0.2679 (2)</td><td rowspan="1" colspan="1">0.0581 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H67</td><td rowspan="1" colspan="1">−0.0965</td><td rowspan="1" colspan="1">−0.1744</td><td rowspan="1" colspan="1">0.3041</td><td rowspan="1" colspan="1">0.070*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C68</td><td rowspan="1" colspan="1">−0.0415 (3)</td><td rowspan="1" colspan="1">−0.30106 (17)</td><td rowspan="1" colspan="1">0.2758 (2)</td><td rowspan="1" colspan="1">0.0690 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H68</td><td rowspan="1" colspan="1">−0.1002</td><td rowspan="1" colspan="1">−0.3161</td><td rowspan="1" colspan="1">0.3175</td><td rowspan="1" colspan="1">0.083*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1W</td><td rowspan="1" colspan="1">0.08967 (14)</td><td rowspan="1" colspan="1">0.45713 (9)</td><td rowspan="1" colspan="1">0.25376 (10)</td><td rowspan="1" colspan="1">0.0351 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.31321 (16)</td><td rowspan="1" colspan="1">0.33485 (10)</td><td rowspan="1" colspan="1">0.41030 (10)</td><td rowspan="1" colspan="1">0.0448 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2W</td><td rowspan="1" colspan="1">0.32191 (14)</td><td rowspan="1" colspan="1">0.11389 (9)</td><td rowspan="1" colspan="1">0.21641 (10)</td><td rowspan="1" colspan="1">0.0365 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.13911 (14)</td><td rowspan="1" colspan="1">0.42916 (10)</td><td rowspan="1" colspan="1">0.39984 (9)</td><td rowspan="1" colspan="1">0.0384 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.32934 (18)</td><td rowspan="1" colspan="1">0.73159 (12)</td><td rowspan="1" colspan="1">0.51239 (13)</td><td rowspan="1" colspan="1">0.0621 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3B</td><td rowspan="1" colspan="1">0.2710</td><td rowspan="1" colspan="1">0.7695</td><td rowspan="1" colspan="1">0.5383</td><td rowspan="1" colspan="1">0.053 (8)*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3W</td><td rowspan="1" colspan="1">0.55572 (19)</td><td rowspan="1" colspan="1">0.76710 (13)</td><td rowspan="1" colspan="1">0.49150 (12)</td><td rowspan="1" colspan="1">0.0557 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.49306 (14)</td><td rowspan="1" colspan="1">0.32552 (9)</td><td rowspan="1" colspan="1">0.26308 (10)</td><td rowspan="1" colspan="1">0.0423 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.41097 (13)</td><td rowspan="1" colspan="1">0.21949 (9)</td><td rowspan="1" colspan="1">0.27590 (9)</td><td rowspan="1" colspan="1">0.0355 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.6256 (2)</td><td rowspan="1" colspan="1">−0.16741 (10)</td><td rowspan="1" colspan="1">0.35221 (10)</td><td rowspan="1" colspan="1">0.0575 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6B</td><td rowspan="1" colspan="1">0.5986</td><td rowspan="1" colspan="1">−0.1755</td><td rowspan="1" colspan="1">0.3982</td><td rowspan="1" colspan="1">0.086*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.35154 (16)</td><td rowspan="1" colspan="1">0.39907 (10)</td><td rowspan="1" colspan="1">0.14982 (9)</td><td rowspan="1" colspan="1">0.0419 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.25588 (12)</td><td rowspan="1" colspan="1">0.30030 (8)</td><td rowspan="1" colspan="1">0.16729 (8)</td><td rowspan="1" colspan="1">0.0288 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">0.16710 (17)</td><td rowspan="1" colspan="1">0.71316 (10)</td><td rowspan="1" colspan="1">−0.06077 (11)</td><td rowspan="1" colspan="1">0.0515 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9A</td><td rowspan="1" colspan="1">0.0962</td><td rowspan="1" colspan="1">0.7273</td><td rowspan="1" colspan="1">−0.0660</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">0.14490 (12)</td><td rowspan="1" colspan="1">0.26954 (8)</td><td rowspan="1" colspan="1">0.31222 (8)</td><td rowspan="1" colspan="1">0.0276 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O11</td><td rowspan="1" colspan="1">0.08354 (14)</td><td rowspan="1" colspan="1">0.15303 (9)</td><td rowspan="1" colspan="1">0.33467 (8)</td><td rowspan="1" colspan="1">0.0347 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">0.14141 (15)</td><td rowspan="1" colspan="1">−0.12645 (10)</td><td rowspan="1" colspan="1">0.58283 (10)</td><td rowspan="1" colspan="1">0.0436 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H12</td><td rowspan="1" colspan="1">0.0696</td><td rowspan="1" colspan="1">−0.1269</td><td rowspan="1" colspan="1">0.6056</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O13</td><td rowspan="1" colspan="1">−0.01345 (13)</td><td rowspan="1" colspan="1">0.35115 (8)</td><td rowspan="1" colspan="1">0.20622 (9)</td><td rowspan="1" colspan="1">0.0344 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O14</td><td rowspan="1" colspan="1">−0.08956 (13)</td><td rowspan="1" colspan="1">0.24254 (9)</td><td rowspan="1" colspan="1">0.24632 (10)</td><td rowspan="1" colspan="1">0.0387 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O15</td><td rowspan="1" colspan="1">−0.28900 (18)</td><td rowspan="1" colspan="1">0.74434 (10)</td><td rowspan="1" colspan="1">0.22001 (11)</td><td rowspan="1" colspan="1">0.0515 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15C</td><td rowspan="1" colspan="1">−0.3155</td><td rowspan="1" colspan="1">0.7677</td><td rowspan="1" colspan="1">0.2616</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O16</td><td rowspan="1" colspan="1">0.25751 (14)</td><td rowspan="1" colspan="1">0.15768 (10)</td><td rowspan="1" colspan="1">0.07291 (9)</td><td rowspan="1" colspan="1">0.0373 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O17</td><td rowspan="1" colspan="1">0.06252 (16)</td><td rowspan="1" colspan="1">0.22753 (10)</td><td rowspan="1" colspan="1">0.08072 (10)</td><td rowspan="1" colspan="1">0.0456 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O18</td><td rowspan="1" colspan="1">0.3465 (2)</td><td rowspan="1" colspan="1">−0.21435 (11)</td><td rowspan="1" colspan="1">−0.05109 (14)</td><td rowspan="1" colspan="1">0.0692 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18B</td><td rowspan="1" colspan="1">0.2901</td><td rowspan="1" colspan="1">−0.2320</td><td rowspan="1" colspan="1">−0.0546</td><td rowspan="1" colspan="1">0.104*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2WA</td><td rowspan="1" colspan="1">0.372 (3)</td><td rowspan="1" colspan="1">0.131 (2)</td><td rowspan="1" colspan="1">0.230 (2)</td><td rowspan="1" colspan="1">0.104*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2WB</td><td rowspan="1" colspan="1">0.355 (3)</td><td rowspan="1" colspan="1">0.0618 (12)</td><td rowspan="1" colspan="1">0.210 (2)</td><td rowspan="1" colspan="1">0.104*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3WB</td><td rowspan="1" colspan="1">0.496 (3)</td><td rowspan="1" colspan="1">0.749 (2)</td><td rowspan="1" colspan="1">0.497 (2)</td><td rowspan="1" colspan="1">0.104*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1WA</td><td rowspan="1" colspan="1">0.042 (3)</td><td rowspan="1" colspan="1">0.439 (2)</td><td rowspan="1" colspan="1">0.239 (2)</td><td rowspan="1" colspan="1">0.104*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1WB</td><td rowspan="1" colspan="1">0.068 (3)</td><td rowspan="1" colspan="1">0.5102 (12)</td><td rowspan="1" colspan="1">0.244 (2)</td><td rowspan="1" colspan="1">0.104*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3WA</td><td rowspan="1" colspan="1">0.597 (3)</td><td rowspan="1" colspan="1">0.734 (2)</td><td rowspan="1" colspan="1">0.519 (2)</td><td rowspan="1" colspan="1">0.104*</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapadps"><title>Atomic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e2823"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>U</italic><sup>11</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>22</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>33</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>12</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>13</sup></td><td rowspan="1" colspan="1"><italic>U</italic><sup>23</sup></td></tr><tr><td rowspan="1" colspan="1">Er1</td><td rowspan="1" colspan="1">0.02520 (4)</td><td rowspan="1" colspan="1">0.01535 (4)</td><td rowspan="1" colspan="1">0.03068 (5)</td><td rowspan="1" colspan="1">−0.00889 (3)</td><td rowspan="1" colspan="1">−0.01071 (3)</td><td rowspan="1" colspan="1">0.00290 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2</td><td rowspan="1" colspan="1">0.02410 (4)</td><td rowspan="1" colspan="1">0.01427 (4)</td><td rowspan="1" colspan="1">0.03054 (5)</td><td rowspan="1" colspan="1">−0.00713 (3)</td><td rowspan="1" colspan="1">−0.00945 (3)</td><td rowspan="1" colspan="1">0.00068 (3)</td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.0306 (8)</td><td rowspan="1" colspan="1">0.0208 (8)</td><td rowspan="1" colspan="1">0.0434 (10)</td><td rowspan="1" colspan="1">−0.0104 (7)</td><td rowspan="1" colspan="1">−0.0122 (7)</td><td rowspan="1" colspan="1">0.0012 (7)</td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.0591 (14)</td><td rowspan="1" colspan="1">0.0278 (11)</td><td rowspan="1" colspan="1">0.121 (2)</td><td rowspan="1" colspan="1">−0.0221 (10)</td><td rowspan="1" colspan="1">−0.0450 (15)</td><td rowspan="1" colspan="1">0.0179 (13)</td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.0365 (9)</td><td rowspan="1" colspan="1">0.0195 (7)</td><td rowspan="1" colspan="1">0.0365 (10)</td><td rowspan="1" colspan="1">−0.0106 (7)</td><td rowspan="1" colspan="1">−0.0129 (7)</td><td rowspan="1" colspan="1">0.0011 (7)</td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.0824 (17)</td><td rowspan="1" colspan="1">0.0278 (11)</td><td rowspan="1" colspan="1">0.108 (2)</td><td rowspan="1" colspan="1">−0.0263 (11)</td><td rowspan="1" colspan="1">−0.0674 (17)</td><td rowspan="1" colspan="1">0.0176 (12)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.0371 (11)</td><td rowspan="1" colspan="1">0.0369 (11)</td><td rowspan="1" colspan="1">0.0299 (11)</td><td rowspan="1" colspan="1">−0.0138 (9)</td><td rowspan="1" colspan="1">−0.0115 (9)</td><td rowspan="1" colspan="1">−0.0023 (8)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.0367 (12)</td><td rowspan="1" colspan="1">0.0419 (12)</td><td rowspan="1" colspan="1">0.0407 (13)</td><td rowspan="1" colspan="1">−0.0099 (10)</td><td rowspan="1" colspan="1">−0.0026 (10)</td><td rowspan="1" colspan="1">−0.0119 (10)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.0320 (11)</td><td rowspan="1" colspan="1">0.0494 (14)</td><td rowspan="1" colspan="1">0.0520 (15)</td><td rowspan="1" colspan="1">−0.0164 (10)</td><td rowspan="1" colspan="1">−0.0013 (10)</td><td rowspan="1" colspan="1">−0.0079 (11)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.0374 (11)</td><td rowspan="1" colspan="1">0.0354 (11)</td><td rowspan="1" colspan="1">0.0514 (14)</td><td rowspan="1" colspan="1">−0.0144 (9)</td><td rowspan="1" colspan="1">−0.0139 (10)</td><td rowspan="1" colspan="1">−0.0033 (10)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.0369 (12)</td><td rowspan="1" colspan="1">0.0362 (12)</td><td rowspan="1" colspan="1">0.0557 (16)</td><td rowspan="1" colspan="1">−0.0063 (9)</td><td rowspan="1" colspan="1">−0.0061 (11)</td><td rowspan="1" colspan="1">−0.0140 (11)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.0320 (11)</td><td rowspan="1" colspan="1">0.0419 (12)</td><td rowspan="1" colspan="1">0.0481 (14)</td><td rowspan="1" colspan="1">−0.0139 (9)</td><td rowspan="1" colspan="1">−0.0031 (10)</td><td rowspan="1" colspan="1">−0.0074 (10)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.0499 (13)</td><td rowspan="1" colspan="1">0.0380 (12)</td><td rowspan="1" colspan="1">0.0318 (12)</td><td rowspan="1" colspan="1">−0.0201 (10)</td><td rowspan="1" colspan="1">−0.0083 (10)</td><td rowspan="1" colspan="1">−0.0002 (9)</td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.0425 (12)</td><td rowspan="1" colspan="1">0.0288 (10)</td><td rowspan="1" colspan="1">0.0336 (11)</td><td rowspan="1" colspan="1">−0.0220 (9)</td><td rowspan="1" colspan="1">−0.0077 (9)</td><td rowspan="1" colspan="1">0.0021 (8)</td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.0264 (10)</td><td rowspan="1" colspan="1">0.0244 (10)</td><td rowspan="1" colspan="1">0.0594 (15)</td><td rowspan="1" colspan="1">−0.0034 (8)</td><td rowspan="1" colspan="1">−0.0199 (10)</td><td rowspan="1" colspan="1">0.0001 (9)</td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.0695 (17)</td><td rowspan="1" colspan="1">0.0303 (11)</td><td rowspan="1" colspan="1">0.0508 (15)</td><td rowspan="1" colspan="1">−0.0085 (11)</td><td rowspan="1" colspan="1">−0.0286 (13)</td><td rowspan="1" colspan="1">−0.0083 (10)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.0694 (17)</td><td rowspan="1" colspan="1">0.0337 (12)</td><td rowspan="1" colspan="1">0.0367 (13)</td><td rowspan="1" colspan="1">−0.0096 (11)</td><td rowspan="1" colspan="1">−0.0169 (12)</td><td rowspan="1" colspan="1">−0.0015 (10)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.0425 (12)</td><td rowspan="1" colspan="1">0.0245 (10)</td><td rowspan="1" colspan="1">0.0411 (13)</td><td rowspan="1" colspan="1">−0.0103 (9)</td><td rowspan="1" colspan="1">−0.0117 (10)</td><td rowspan="1" colspan="1">−0.0006 (9)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.0631 (15)</td><td rowspan="1" colspan="1">0.0321 (11)</td><td rowspan="1" colspan="1">0.0367 (13)</td><td rowspan="1" colspan="1">−0.0145 (11)</td><td rowspan="1" colspan="1">−0.0132 (11)</td><td rowspan="1" colspan="1">−0.0063 (9)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.0523 (14)</td><td rowspan="1" colspan="1">0.0357 (12)</td><td rowspan="1" colspan="1">0.0389 (13)</td><td rowspan="1" colspan="1">−0.0115 (10)</td><td rowspan="1" colspan="1">−0.0128 (11)</td><td rowspan="1" colspan="1">0.0046 (10)</td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.0330 (11)</td><td rowspan="1" colspan="1">0.0256 (11)</td><td rowspan="1" colspan="1">0.090 (2)</td><td rowspan="1" colspan="1">−0.0076 (9)</td><td rowspan="1" colspan="1">−0.0287 (12)</td><td rowspan="1" colspan="1">0.0072 (11)</td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.0285 (10)</td><td rowspan="1" colspan="1">0.0234 (9)</td><td rowspan="1" colspan="1">0.0370 (11)</td><td rowspan="1" colspan="1">−0.0069 (7)</td><td rowspan="1" colspan="1">−0.0117 (8)</td><td rowspan="1" colspan="1">0.0022 (8)</td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.0663 (15)</td><td rowspan="1" colspan="1">0.0372 (12)</td><td rowspan="1" colspan="1">0.0267 (11)</td><td rowspan="1" colspan="1">−0.0289 (11)</td><td rowspan="1" colspan="1">−0.0184 (10)</td><td rowspan="1" colspan="1">0.0054 (9)</td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.0602 (15)</td><td rowspan="1" colspan="1">0.0567 (15)</td><td rowspan="1" colspan="1">0.0305 (12)</td><td rowspan="1" colspan="1">−0.0401 (13)</td><td rowspan="1" colspan="1">−0.0074 (11)</td><td rowspan="1" colspan="1">0.0022 (10)</td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.0403 (12)</td><td rowspan="1" colspan="1">0.0538 (14)</td><td rowspan="1" colspan="1">0.0392 (13)</td><td rowspan="1" colspan="1">−0.0193 (11)</td><td rowspan="1" colspan="1">−0.0101 (10)</td><td rowspan="1" colspan="1">−0.0070 (11)</td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.0471 (12)</td><td rowspan="1" colspan="1">0.0330 (11)</td><td rowspan="1" colspan="1">0.0370 (12)</td><td rowspan="1" colspan="1">−0.0171 (9)</td><td rowspan="1" colspan="1">−0.0183 (10)</td><td rowspan="1" colspan="1">0.0007 (9)</td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.0430 (12)</td><td rowspan="1" colspan="1">0.0360 (11)</td><td rowspan="1" colspan="1">0.0446 (13)</td><td rowspan="1" colspan="1">−0.0210 (10)</td><td rowspan="1" colspan="1">−0.0143 (10)</td><td rowspan="1" colspan="1">0.0058 (10)</td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.0459 (13)</td><td rowspan="1" colspan="1">0.0344 (11)</td><td rowspan="1" colspan="1">0.0442 (14)</td><td rowspan="1" colspan="1">−0.0161 (10)</td><td rowspan="1" colspan="1">−0.0188 (10)</td><td rowspan="1" colspan="1">0.0053 (10)</td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.104 (2)</td><td rowspan="1" colspan="1">0.0342 (12)</td><td rowspan="1" colspan="1">0.0367 (14)</td><td rowspan="1" colspan="1">−0.0352 (14)</td><td rowspan="1" colspan="1">−0.0248 (14)</td><td rowspan="1" colspan="1">0.0076 (10)</td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.0393 (11)</td><td rowspan="1" colspan="1">0.0229 (9)</td><td rowspan="1" colspan="1">0.0321 (11)</td><td rowspan="1" colspan="1">−0.0139 (8)</td><td rowspan="1" colspan="1">−0.0108 (9)</td><td rowspan="1" colspan="1">0.0031 (8)</td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.0526 (13)</td><td rowspan="1" colspan="1">0.0317 (10)</td><td rowspan="1" colspan="1">0.0319 (11)</td><td rowspan="1" colspan="1">−0.0227 (10)</td><td rowspan="1" colspan="1">−0.0208 (10)</td><td rowspan="1" colspan="1">0.0083 (9)</td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.0486 (13)</td><td rowspan="1" colspan="1">0.0309 (11)</td><td rowspan="1" colspan="1">0.0399 (13)</td><td rowspan="1" colspan="1">−0.0108 (10)</td><td rowspan="1" colspan="1">−0.0137 (10)</td><td rowspan="1" colspan="1">0.0034 (9)</td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.0436 (12)</td><td rowspan="1" colspan="1">0.0391 (12)</td><td rowspan="1" colspan="1">0.0363 (12)</td><td rowspan="1" colspan="1">−0.0180 (10)</td><td rowspan="1" colspan="1">−0.0080 (10)</td><td rowspan="1" colspan="1">0.0066 (9)</td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.0418 (11)</td><td rowspan="1" colspan="1">0.0309 (10)</td><td rowspan="1" colspan="1">0.0339 (11)</td><td rowspan="1" colspan="1">−0.0185 (9)</td><td rowspan="1" colspan="1">−0.0160 (9)</td><td rowspan="1" colspan="1">0.0081 (8)</td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.0395 (12)</td><td rowspan="1" colspan="1">0.0351 (11)</td><td rowspan="1" colspan="1">0.0418 (13)</td><td rowspan="1" colspan="1">−0.0117 (9)</td><td rowspan="1" colspan="1">−0.0111 (10)</td><td rowspan="1" colspan="1">0.0064 (9)</td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.0454 (12)</td><td rowspan="1" colspan="1">0.0420 (12)</td><td rowspan="1" colspan="1">0.0366 (12)</td><td rowspan="1" colspan="1">−0.0234 (10)</td><td rowspan="1" colspan="1">−0.0113 (10)</td><td rowspan="1" colspan="1">0.0116 (10)</td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.0680 (16)</td><td rowspan="1" colspan="1">0.0335 (11)</td><td rowspan="1" colspan="1">0.0382 (13)</td><td rowspan="1" colspan="1">−0.0293 (11)</td><td rowspan="1" colspan="1">−0.0256 (11)</td><td rowspan="1" colspan="1">0.0091 (9)</td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.0290 (9)</td><td rowspan="1" colspan="1">0.0227 (9)</td><td rowspan="1" colspan="1">0.0334 (11)</td><td rowspan="1" colspan="1">−0.0108 (7)</td><td rowspan="1" colspan="1">−0.0086 (8)</td><td rowspan="1" colspan="1">0.0041 (8)</td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.0240 (9)</td><td rowspan="1" colspan="1">0.0213 (9)</td><td rowspan="1" colspan="1">0.0385 (12)</td><td rowspan="1" colspan="1">−0.0033 (7)</td><td rowspan="1" colspan="1">−0.0103 (8)</td><td rowspan="1" colspan="1">−0.0030 (8)</td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.0373 (11)</td><td rowspan="1" colspan="1">0.0307 (10)</td><td rowspan="1" colspan="1">0.0344 (12)</td><td rowspan="1" colspan="1">−0.0057 (9)</td><td rowspan="1" colspan="1">−0.0072 (9)</td><td rowspan="1" colspan="1">−0.0091 (9)</td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.0454 (12)</td><td rowspan="1" colspan="1">0.0333 (11)</td><td rowspan="1" colspan="1">0.0329 (12)</td><td rowspan="1" colspan="1">−0.0127 (9)</td><td rowspan="1" colspan="1">−0.0082 (10)</td><td rowspan="1" colspan="1">0.0010 (9)</td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.0394 (11)</td><td rowspan="1" colspan="1">0.0228 (9)</td><td rowspan="1" colspan="1">0.0449 (13)</td><td rowspan="1" colspan="1">−0.0078 (8)</td><td rowspan="1" colspan="1">−0.0159 (10)</td><td rowspan="1" colspan="1">−0.0028 (9)</td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">0.0459 (12)</td><td rowspan="1" colspan="1">0.0285 (10)</td><td rowspan="1" colspan="1">0.0362 (12)</td><td rowspan="1" colspan="1">−0.0045 (9)</td><td rowspan="1" colspan="1">−0.0111 (10)</td><td rowspan="1" colspan="1">−0.0099 (9)</td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">0.0370 (11)</td><td rowspan="1" colspan="1">0.0299 (10)</td><td rowspan="1" colspan="1">0.0319 (11)</td><td rowspan="1" colspan="1">−0.0057 (8)</td><td rowspan="1" colspan="1">−0.0071 (9)</td><td rowspan="1" colspan="1">−0.0006 (8)</td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">0.0270 (10)</td><td rowspan="1" colspan="1">0.0221 (9)</td><td rowspan="1" colspan="1">0.0527 (14)</td><td rowspan="1" colspan="1">−0.0056 (8)</td><td rowspan="1" colspan="1">−0.0099 (9)</td><td rowspan="1" colspan="1">−0.0019 (9)</td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">0.0287 (9)</td><td rowspan="1" colspan="1">0.0220 (9)</td><td rowspan="1" colspan="1">0.0323 (11)</td><td rowspan="1" colspan="1">−0.0062 (7)</td><td rowspan="1" colspan="1">−0.0107 (8)</td><td rowspan="1" colspan="1">−0.0043 (7)</td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.0512 (13)</td><td rowspan="1" colspan="1">0.0356 (11)</td><td rowspan="1" colspan="1">0.0259 (11)</td><td rowspan="1" colspan="1">−0.0161 (10)</td><td rowspan="1" colspan="1">−0.0078 (9)</td><td rowspan="1" colspan="1">−0.0024 (8)</td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.0446 (12)</td><td rowspan="1" colspan="1">0.0386 (12)</td><td rowspan="1" colspan="1">0.0376 (13)</td><td rowspan="1" colspan="1">−0.0197 (10)</td><td rowspan="1" colspan="1">−0.0093 (10)</td><td rowspan="1" colspan="1">−0.0008 (9)</td></tr><tr><td rowspan="1" colspan="1">C43</td><td rowspan="1" colspan="1">0.0441 (13)</td><td rowspan="1" colspan="1">0.0390 (12)</td><td rowspan="1" colspan="1">0.0430 (14)</td><td rowspan="1" colspan="1">−0.0132 (10)</td><td rowspan="1" colspan="1">−0.0106 (10)</td><td rowspan="1" colspan="1">−0.0010 (10)</td></tr><tr><td rowspan="1" colspan="1">C44</td><td rowspan="1" colspan="1">0.0540 (14)</td><td rowspan="1" colspan="1">0.0350 (12)</td><td rowspan="1" colspan="1">0.0443 (14)</td><td rowspan="1" colspan="1">−0.0183 (11)</td><td rowspan="1" colspan="1">−0.0070 (11)</td><td rowspan="1" colspan="1">−0.0032 (10)</td></tr><tr><td rowspan="1" colspan="1">C45</td><td rowspan="1" colspan="1">0.0497 (14)</td><td rowspan="1" colspan="1">0.0477 (14)</td><td rowspan="1" colspan="1">0.0492 (15)</td><td rowspan="1" colspan="1">−0.0252 (11)</td><td rowspan="1" colspan="1">−0.0091 (11)</td><td rowspan="1" colspan="1">−0.0082 (11)</td></tr><tr><td rowspan="1" colspan="1">C46</td><td rowspan="1" colspan="1">0.0414 (12)</td><td rowspan="1" colspan="1">0.0448 (13)</td><td rowspan="1" colspan="1">0.0413 (14)</td><td rowspan="1" colspan="1">−0.0107 (10)</td><td rowspan="1" colspan="1">−0.0087 (10)</td><td rowspan="1" colspan="1">−0.0072 (10)</td></tr><tr><td rowspan="1" colspan="1">C47</td><td rowspan="1" colspan="1">0.0615 (15)</td><td rowspan="1" colspan="1">0.0347 (12)</td><td rowspan="1" colspan="1">0.0323 (12)</td><td rowspan="1" colspan="1">−0.0105 (11)</td><td rowspan="1" colspan="1">−0.0149 (11)</td><td rowspan="1" colspan="1">0.0006 (9)</td></tr><tr><td rowspan="1" colspan="1">C48</td><td rowspan="1" colspan="1">0.0486 (12)</td><td rowspan="1" colspan="1">0.0201 (9)</td><td rowspan="1" colspan="1">0.0331 (11)</td><td rowspan="1" colspan="1">−0.0142 (9)</td><td rowspan="1" colspan="1">−0.0106 (10)</td><td rowspan="1" colspan="1">0.0034 (8)</td></tr><tr><td rowspan="1" colspan="1">C49</td><td rowspan="1" colspan="1">0.0347 (11)</td><td rowspan="1" colspan="1">0.0275 (10)</td><td rowspan="1" colspan="1">0.0410 (12)</td><td rowspan="1" colspan="1">−0.0128 (8)</td><td rowspan="1" colspan="1">−0.0098 (9)</td><td rowspan="1" colspan="1">0.0013 (9)</td></tr><tr><td rowspan="1" colspan="1">C50</td><td rowspan="1" colspan="1">0.0397 (11)</td><td rowspan="1" colspan="1">0.0229 (10)</td><td rowspan="1" colspan="1">0.0441 (13)</td><td rowspan="1" colspan="1">−0.0091 (8)</td><td rowspan="1" colspan="1">−0.0129 (10)</td><td rowspan="1" colspan="1">−0.0016 (9)</td></tr><tr><td rowspan="1" colspan="1">C51</td><td rowspan="1" colspan="1">0.0366 (11)</td><td rowspan="1" colspan="1">0.0225 (9)</td><td rowspan="1" colspan="1">0.0494 (13)</td><td rowspan="1" colspan="1">−0.0121 (8)</td><td rowspan="1" colspan="1">−0.0209 (10)</td><td rowspan="1" colspan="1">0.0040 (9)</td></tr><tr><td rowspan="1" colspan="1">C52</td><td rowspan="1" colspan="1">0.0312 (11)</td><td rowspan="1" colspan="1">0.0279 (10)</td><td rowspan="1" colspan="1">0.0610 (16)</td><td rowspan="1" colspan="1">−0.0132 (9)</td><td rowspan="1" colspan="1">−0.0094 (10)</td><td rowspan="1" colspan="1">0.0039 (10)</td></tr><tr><td rowspan="1" colspan="1">C53</td><td rowspan="1" colspan="1">0.0313 (10)</td><td rowspan="1" colspan="1">0.0229 (10)</td><td rowspan="1" colspan="1">0.0580 (15)</td><td rowspan="1" colspan="1">−0.0091 (8)</td><td rowspan="1" colspan="1">−0.0086 (10)</td><td rowspan="1" colspan="1">−0.0031 (9)</td></tr><tr><td rowspan="1" colspan="1">C54</td><td rowspan="1" colspan="1">0.0471 (15)</td><td rowspan="1" colspan="1">0.0362 (15)</td><td rowspan="1" colspan="1">0.124 (3)</td><td rowspan="1" colspan="1">−0.0180 (12)</td><td rowspan="1" colspan="1">−0.0084 (17)</td><td rowspan="1" colspan="1">0.0222 (17)</td></tr><tr><td rowspan="1" colspan="1">C55</td><td rowspan="1" colspan="1">0.0439 (14)</td><td rowspan="1" colspan="1">0.0302 (12)</td><td rowspan="1" colspan="1">0.090 (2)</td><td rowspan="1" colspan="1">−0.0126 (10)</td><td rowspan="1" colspan="1">0.0005 (14)</td><td rowspan="1" colspan="1">0.0053 (13)</td></tr><tr><td rowspan="1" colspan="1">C56</td><td rowspan="1" colspan="1">0.0398 (12)</td><td rowspan="1" colspan="1">0.0246 (10)</td><td rowspan="1" colspan="1">0.0636 (16)</td><td rowspan="1" colspan="1">−0.0146 (9)</td><td rowspan="1" colspan="1">−0.0251 (11)</td><td rowspan="1" colspan="1">0.0071 (10)</td></tr><tr><td rowspan="1" colspan="1">C57</td><td rowspan="1" colspan="1">0.097 (2)</td><td rowspan="1" colspan="1">0.0343 (13)</td><td rowspan="1" colspan="1">0.0631 (18)</td><td rowspan="1" colspan="1">−0.0307 (14)</td><td rowspan="1" colspan="1">−0.0328 (16)</td><td rowspan="1" colspan="1">0.0016 (12)</td></tr><tr><td rowspan="1" colspan="1">C58</td><td rowspan="1" colspan="1">0.107 (3)</td><td rowspan="1" colspan="1">0.0350 (14)</td><td rowspan="1" colspan="1">0.087 (2)</td><td rowspan="1" colspan="1">−0.0307 (16)</td><td rowspan="1" colspan="1">−0.050 (2)</td><td rowspan="1" colspan="1">0.0001 (14)</td></tr><tr><td rowspan="1" colspan="1">C59</td><td rowspan="1" colspan="1">0.0442 (12)</td><td rowspan="1" colspan="1">0.0235 (10)</td><td rowspan="1" colspan="1">0.0394 (12)</td><td rowspan="1" colspan="1">−0.0129 (9)</td><td rowspan="1" colspan="1">−0.0085 (10)</td><td rowspan="1" colspan="1">0.0026 (8)</td></tr><tr><td rowspan="1" colspan="1">C60</td><td rowspan="1" colspan="1">0.0525 (13)</td><td rowspan="1" colspan="1">0.0221 (10)</td><td rowspan="1" colspan="1">0.0448 (14)</td><td rowspan="1" colspan="1">−0.0082 (9)</td><td rowspan="1" colspan="1">−0.0153 (11)</td><td rowspan="1" colspan="1">−0.0014 (9)</td></tr><tr><td rowspan="1" colspan="1">C61</td><td rowspan="1" colspan="1">0.0475 (12)</td><td rowspan="1" colspan="1">0.0211 (9)</td><td rowspan="1" colspan="1">0.0455 (13)</td><td rowspan="1" colspan="1">−0.0145 (9)</td><td rowspan="1" colspan="1">−0.0272 (10)</td><td rowspan="1" colspan="1">0.0055 (8)</td></tr><tr><td rowspan="1" colspan="1">C62</td><td rowspan="1" colspan="1">0.0373 (11)</td><td rowspan="1" colspan="1">0.0284 (10)</td><td rowspan="1" colspan="1">0.0585 (15)</td><td rowspan="1" colspan="1">−0.0168 (9)</td><td rowspan="1" colspan="1">−0.0160 (11)</td><td rowspan="1" colspan="1">0.0047 (10)</td></tr><tr><td rowspan="1" colspan="1">C63</td><td rowspan="1" colspan="1">0.0348 (11)</td><td rowspan="1" colspan="1">0.0227 (9)</td><td rowspan="1" colspan="1">0.0517 (14)</td><td rowspan="1" colspan="1">−0.0103 (8)</td><td rowspan="1" colspan="1">−0.0114 (10)</td><td rowspan="1" colspan="1">−0.0015 (9)</td></tr><tr><td rowspan="1" colspan="1">C64</td><td rowspan="1" colspan="1">0.125 (3)</td><td rowspan="1" colspan="1">0.0292 (12)</td><td rowspan="1" colspan="1">0.072 (2)</td><td rowspan="1" colspan="1">−0.0256 (15)</td><td rowspan="1" colspan="1">−0.062 (2)</td><td rowspan="1" colspan="1">0.0016 (13)</td></tr><tr><td rowspan="1" colspan="1">C65</td><td rowspan="1" colspan="1">0.110 (2)</td><td rowspan="1" colspan="1">0.0300 (12)</td><td rowspan="1" colspan="1">0.0532 (17)</td><td rowspan="1" colspan="1">−0.0282 (14)</td><td rowspan="1" colspan="1">−0.0406 (16)</td><td rowspan="1" colspan="1">0.0037 (11)</td></tr><tr><td rowspan="1" colspan="1">C66</td><td rowspan="1" colspan="1">0.0572 (14)</td><td rowspan="1" colspan="1">0.0236 (10)</td><td rowspan="1" colspan="1">0.0619 (16)</td><td rowspan="1" colspan="1">−0.0180 (10)</td><td rowspan="1" colspan="1">−0.0385 (13)</td><td rowspan="1" colspan="1">0.0077 (10)</td></tr><tr><td rowspan="1" colspan="1">C67</td><td rowspan="1" colspan="1">0.0432 (14)</td><td rowspan="1" colspan="1">0.0297 (12)</td><td rowspan="1" colspan="1">0.105 (2)</td><td rowspan="1" colspan="1">−0.0162 (10)</td><td rowspan="1" colspan="1">−0.0260 (15)</td><td rowspan="1" colspan="1">0.0120 (13)</td></tr><tr><td rowspan="1" colspan="1">C68</td><td rowspan="1" colspan="1">0.0514 (16)</td><td rowspan="1" colspan="1">0.0344 (14)</td><td rowspan="1" colspan="1">0.133 (3)</td><td rowspan="1" colspan="1">−0.0244 (12)</td><td rowspan="1" colspan="1">−0.0399 (18)</td><td rowspan="1" colspan="1">0.0235 (16)</td></tr><tr><td rowspan="1" colspan="1">O1W</td><td rowspan="1" colspan="1">0.0382 (8)</td><td rowspan="1" colspan="1">0.0189 (6)</td><td rowspan="1" colspan="1">0.0551 (10)</td><td rowspan="1" colspan="1">−0.0080 (6)</td><td rowspan="1" colspan="1">−0.0241 (7)</td><td rowspan="1" colspan="1">0.0009 (6)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0510 (10)</td><td rowspan="1" colspan="1">0.0392 (9)</td><td rowspan="1" colspan="1">0.0437 (10)</td><td rowspan="1" colspan="1">−0.0072 (7)</td><td rowspan="1" colspan="1">−0.0170 (8)</td><td rowspan="1" colspan="1">−0.0072 (7)</td></tr><tr><td rowspan="1" colspan="1">O2W</td><td rowspan="1" colspan="1">0.0341 (8)</td><td rowspan="1" colspan="1">0.0186 (6)</td><td rowspan="1" colspan="1">0.0616 (11)</td><td rowspan="1" colspan="1">−0.0052 (6)</td><td rowspan="1" colspan="1">−0.0234 (7)</td><td rowspan="1" colspan="1">−0.0010 (7)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0398 (8)</td><td rowspan="1" colspan="1">0.0425 (9)</td><td rowspan="1" colspan="1">0.0372 (9)</td><td rowspan="1" colspan="1">−0.0175 (7)</td><td rowspan="1" colspan="1">−0.0121 (7)</td><td rowspan="1" colspan="1">0.0004 (7)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0497 (11)</td><td rowspan="1" colspan="1">0.0425 (10)</td><td rowspan="1" colspan="1">0.0940 (16)</td><td rowspan="1" colspan="1">−0.0228 (9)</td><td rowspan="1" colspan="1">−0.0057 (10)</td><td rowspan="1" colspan="1">−0.0149 (10)</td></tr><tr><td rowspan="1" colspan="1">O3W</td><td rowspan="1" colspan="1">0.0573 (12)</td><td rowspan="1" colspan="1">0.0537 (11)</td><td rowspan="1" colspan="1">0.0600 (12)</td><td rowspan="1" colspan="1">−0.0233 (9)</td><td rowspan="1" colspan="1">−0.0219 (10)</td><td rowspan="1" colspan="1">0.0168 (9)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0323 (8)</td><td rowspan="1" colspan="1">0.0229 (7)</td><td rowspan="1" colspan="1">0.0730 (12)</td><td rowspan="1" colspan="1">−0.0109 (6)</td><td rowspan="1" colspan="1">−0.0184 (8)</td><td rowspan="1" colspan="1">0.0110 (7)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.0307 (7)</td><td rowspan="1" colspan="1">0.0217 (7)</td><td rowspan="1" colspan="1">0.0602 (10)</td><td rowspan="1" colspan="1">−0.0064 (6)</td><td rowspan="1" colspan="1">−0.0219 (7)</td><td rowspan="1" colspan="1">−0.0039 (6)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0950 (15)</td><td rowspan="1" colspan="1">0.0282 (8)</td><td rowspan="1" colspan="1">0.0475 (11)</td><td rowspan="1" colspan="1">−0.0250 (9)</td><td rowspan="1" colspan="1">−0.0109 (10)</td><td rowspan="1" colspan="1">−0.0005 (7)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.0590 (10)</td><td rowspan="1" colspan="1">0.0458 (9)</td><td rowspan="1" colspan="1">0.0349 (9)</td><td rowspan="1" colspan="1">−0.0369 (8)</td><td rowspan="1" colspan="1">−0.0130 (7)</td><td rowspan="1" colspan="1">0.0053 (7)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.0317 (7)</td><td rowspan="1" colspan="1">0.0202 (6)</td><td rowspan="1" colspan="1">0.0348 (8)</td><td rowspan="1" colspan="1">−0.0119 (5)</td><td rowspan="1" colspan="1">−0.0072 (6)</td><td rowspan="1" colspan="1">0.0034 (5)</td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">0.0560 (10)</td><td rowspan="1" colspan="1">0.0330 (8)</td><td rowspan="1" colspan="1">0.0751 (13)</td><td rowspan="1" colspan="1">−0.0145 (8)</td><td rowspan="1" colspan="1">−0.0345 (10)</td><td rowspan="1" colspan="1">0.0077 (8)</td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">0.0310 (7)</td><td rowspan="1" colspan="1">0.0215 (6)</td><td rowspan="1" colspan="1">0.0324 (8)</td><td rowspan="1" colspan="1">−0.0133 (5)</td><td rowspan="1" colspan="1">−0.0086 (6)</td><td rowspan="1" colspan="1">0.0059 (5)</td></tr><tr><td rowspan="1" colspan="1">O11</td><td rowspan="1" colspan="1">0.0488 (9)</td><td rowspan="1" colspan="1">0.0330 (7)</td><td rowspan="1" colspan="1">0.0341 (8)</td><td rowspan="1" colspan="1">−0.0269 (7)</td><td rowspan="1" colspan="1">−0.0158 (7)</td><td rowspan="1" colspan="1">0.0076 (6)</td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">0.0485 (9)</td><td rowspan="1" colspan="1">0.0320 (8)</td><td rowspan="1" colspan="1">0.0500 (10)</td><td rowspan="1" colspan="1">−0.0185 (7)</td><td rowspan="1" colspan="1">−0.0114 (8)</td><td rowspan="1" colspan="1">0.0121 (7)</td></tr><tr><td rowspan="1" colspan="1">O13</td><td rowspan="1" colspan="1">0.0269 (7)</td><td rowspan="1" colspan="1">0.0196 (6)</td><td rowspan="1" colspan="1">0.0590 (10)</td><td rowspan="1" colspan="1">−0.0072 (5)</td><td rowspan="1" colspan="1">−0.0145 (7)</td><td rowspan="1" colspan="1">−0.0029 (6)</td></tr><tr><td rowspan="1" colspan="1">O14</td><td rowspan="1" colspan="1">0.0302 (7)</td><td rowspan="1" colspan="1">0.0196 (7)</td><td rowspan="1" colspan="1">0.0609 (11)</td><td rowspan="1" colspan="1">−0.0067 (6)</td><td rowspan="1" colspan="1">−0.0072 (7)</td><td rowspan="1" colspan="1">0.0028 (6)</td></tr><tr><td rowspan="1" colspan="1">O15</td><td rowspan="1" colspan="1">0.0759 (12)</td><td rowspan="1" colspan="1">0.0237 (8)</td><td rowspan="1" colspan="1">0.0580 (11)</td><td rowspan="1" colspan="1">−0.0152 (8)</td><td rowspan="1" colspan="1">−0.0232 (9)</td><td rowspan="1" colspan="1">−0.0001 (7)</td></tr><tr><td rowspan="1" colspan="1">O16</td><td rowspan="1" colspan="1">0.0394 (8)</td><td rowspan="1" colspan="1">0.0357 (8)</td><td rowspan="1" colspan="1">0.0404 (9)</td><td rowspan="1" colspan="1">−0.0148 (7)</td><td rowspan="1" colspan="1">−0.0116 (7)</td><td rowspan="1" colspan="1">−0.0034 (7)</td></tr><tr><td rowspan="1" colspan="1">O17</td><td rowspan="1" colspan="1">0.0472 (9)</td><td rowspan="1" colspan="1">0.0405 (9)</td><td rowspan="1" colspan="1">0.0424 (10)</td><td rowspan="1" colspan="1">0.0024 (7)</td><td rowspan="1" colspan="1">−0.0176 (8)</td><td rowspan="1" colspan="1">−0.0064 (7)</td></tr><tr><td rowspan="1" colspan="1">O18</td><td rowspan="1" colspan="1">0.0734 (13)</td><td rowspan="1" colspan="1">0.0327 (9)</td><td rowspan="1" colspan="1">0.1064 (18)</td><td rowspan="1" colspan="1">−0.0184 (9)</td><td rowspan="1" colspan="1">−0.0292 (12)</td><td rowspan="1" colspan="1">−0.0041 (10)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, °)</title><table-wrap position="anchor" id="d1e4755"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="4"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Er1—O1W</td><td rowspan="1" colspan="1">2.3588 (14)</td><td rowspan="1" colspan="1">C28—O12</td><td rowspan="1" colspan="1">1.375 (2)</td></tr><tr><td rowspan="1" colspan="1">Er1—O5</td><td rowspan="1" colspan="1">2.3690 (13)</td><td rowspan="1" colspan="1">C28—C29</td><td rowspan="1" colspan="1">1.385 (3)</td></tr><tr><td rowspan="1" colspan="1">Er1—O10</td><td rowspan="1" colspan="1">2.3706 (12)</td><td rowspan="1" colspan="1">C29—C30</td><td rowspan="1" colspan="1">1.382 (3)</td></tr><tr><td rowspan="1" colspan="1">Er1—O4</td><td rowspan="1" colspan="1">2.3759 (14)</td><td rowspan="1" colspan="1">C29—H29</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Er1—O2</td><td rowspan="1" colspan="1">2.3842 (16)</td><td rowspan="1" colspan="1">C30—H30</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Er1—O7</td><td rowspan="1" colspan="1">2.3990 (15)</td><td rowspan="1" colspan="1">C31—C32</td><td rowspan="1" colspan="1">1.503 (3)</td></tr><tr><td rowspan="1" colspan="1">Er1—O1</td><td rowspan="1" colspan="1">2.5110 (17)</td><td rowspan="1" colspan="1">C31—H31A</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">Er1—N1</td><td rowspan="1" colspan="1">2.5166 (15)</td><td rowspan="1" colspan="1">C31—H31B</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">Er1—O8</td><td rowspan="1" colspan="1">2.5367 (14)</td><td rowspan="1" colspan="1">C32—O11</td><td rowspan="1" colspan="1">1.251 (2)</td></tr><tr><td rowspan="1" colspan="1">Er1—C16</td><td rowspan="1" colspan="1">2.7252 (19)</td><td rowspan="1" colspan="1">C32—O10</td><td rowspan="1" colspan="1">1.275 (2)</td></tr><tr><td rowspan="1" colspan="1">Er1—C8</td><td rowspan="1" colspan="1">2.823 (2)</td><td rowspan="1" colspan="1">C33—C38</td><td rowspan="1" colspan="1">1.382 (3)</td></tr><tr><td rowspan="1" colspan="1">Er1—C24</td><td rowspan="1" colspan="1">2.840 (2)</td><td rowspan="1" colspan="1">C33—C34</td><td rowspan="1" colspan="1">1.391 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2—O8</td><td rowspan="1" colspan="1">2.3195 (12)</td><td rowspan="1" colspan="1">C33—C39</td><td rowspan="1" colspan="1">1.508 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2—O14</td><td rowspan="1" colspan="1">2.3613 (14)</td><td rowspan="1" colspan="1">C34—C35</td><td rowspan="1" colspan="1">1.372 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2—O2W</td><td rowspan="1" colspan="1">2.3630 (14)</td><td rowspan="1" colspan="1">C34—H34</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Er2—O13</td><td rowspan="1" colspan="1">2.3816 (13)</td><td rowspan="1" colspan="1">C35—C36</td><td rowspan="1" colspan="1">1.380 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2—O16</td><td rowspan="1" colspan="1">2.3964 (15)</td><td rowspan="1" colspan="1">C35—H35</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Er2—O17</td><td rowspan="1" colspan="1">2.4762 (16)</td><td rowspan="1" colspan="1">C36—O15</td><td rowspan="1" colspan="1">1.364 (2)</td></tr><tr><td rowspan="1" colspan="1">Er2—O10</td><td rowspan="1" colspan="1">2.4986 (14)</td><td rowspan="1" colspan="1">C36—C37</td><td rowspan="1" colspan="1">1.383 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2—O11</td><td rowspan="1" colspan="1">2.5271 (14)</td><td rowspan="1" colspan="1">C37—C38</td><td rowspan="1" colspan="1">1.387 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2—N3</td><td rowspan="1" colspan="1">2.5365 (15)</td><td rowspan="1" colspan="1">C37—H37</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Er2—C40</td><td rowspan="1" colspan="1">2.7432 (19)</td><td rowspan="1" colspan="1">C38—H38</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Er2—C48</td><td rowspan="1" colspan="1">2.815 (2)</td><td rowspan="1" colspan="1">C39—C40</td><td rowspan="1" colspan="1">1.508 (3)</td></tr><tr><td rowspan="1" colspan="1">Er2—C32</td><td rowspan="1" colspan="1">2.892 (2)</td><td rowspan="1" colspan="1">C39—H39A</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">N1—C49</td><td rowspan="1" colspan="1">1.336 (3)</td><td rowspan="1" colspan="1">C39—H39B</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">N1—C53</td><td rowspan="1" colspan="1">1.340 (3)</td><td rowspan="1" colspan="1">C40—O14</td><td rowspan="1" colspan="1">1.256 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—C58</td><td rowspan="1" colspan="1">1.316 (4)</td><td rowspan="1" colspan="1">C40—O13</td><td rowspan="1" colspan="1">1.262 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—C54</td><td rowspan="1" colspan="1">1.319 (4)</td><td rowspan="1" colspan="1">C41—C46</td><td rowspan="1" colspan="1">1.384 (3)</td></tr><tr><td rowspan="1" colspan="1">N3—C59</td><td rowspan="1" colspan="1">1.333 (3)</td><td rowspan="1" colspan="1">C41—C42</td><td rowspan="1" colspan="1">1.391 (3)</td></tr><tr><td rowspan="1" colspan="1">N3—C63</td><td rowspan="1" colspan="1">1.341 (3)</td><td rowspan="1" colspan="1">C41—C47</td><td rowspan="1" colspan="1">1.514 (3)</td></tr><tr><td rowspan="1" colspan="1">N4—C64</td><td rowspan="1" colspan="1">1.323 (4)</td><td rowspan="1" colspan="1">C42—C43</td><td rowspan="1" colspan="1">1.378 (3)</td></tr><tr><td rowspan="1" colspan="1">N4—C68</td><td rowspan="1" colspan="1">1.328 (4)</td><td rowspan="1" colspan="1">C42—H42</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C1—C2</td><td rowspan="1" colspan="1">1.383 (3)</td><td rowspan="1" colspan="1">C43—C44</td><td rowspan="1" colspan="1">1.381 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—C6</td><td rowspan="1" colspan="1">1.386 (3)</td><td rowspan="1" colspan="1">C43—H43</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C1—C7</td><td rowspan="1" colspan="1">1.518 (3)</td><td rowspan="1" colspan="1">C44—O18</td><td rowspan="1" colspan="1">1.364 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3</td><td rowspan="1" colspan="1">1.383 (3)</td><td rowspan="1" colspan="1">C44—C45</td><td rowspan="1" colspan="1">1.383 (4)</td></tr><tr><td rowspan="1" colspan="1">C2—H2</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C45—C46</td><td rowspan="1" colspan="1">1.382 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.374 (3)</td><td rowspan="1" colspan="1">C45—H45</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C3—H3</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C46—H46</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C4—O3</td><td rowspan="1" colspan="1">1.375 (3)</td><td rowspan="1" colspan="1">C47—C48</td><td rowspan="1" colspan="1">1.511 (3)</td></tr><tr><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.375 (3)</td><td rowspan="1" colspan="1">C47—H47A</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">C5—C6</td><td rowspan="1" colspan="1">1.380 (3)</td><td rowspan="1" colspan="1">C47—H47B</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">C5—H5</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C48—O16</td><td rowspan="1" colspan="1">1.252 (3)</td></tr><tr><td rowspan="1" colspan="1">C6—H6</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C48—O17</td><td rowspan="1" colspan="1">1.263 (3)</td></tr><tr><td rowspan="1" colspan="1">C7—C8</td><td rowspan="1" colspan="1">1.506 (3)</td><td rowspan="1" colspan="1">C49—C50</td><td rowspan="1" colspan="1">1.384 (3)</td></tr><tr><td rowspan="1" colspan="1">C7—H7A</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C49—H49</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C7—H7B</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C50—C51</td><td rowspan="1" colspan="1">1.387 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—O1</td><td rowspan="1" colspan="1">1.256 (3)</td><td rowspan="1" colspan="1">C50—H50</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C8—O2</td><td rowspan="1" colspan="1">1.258 (3)</td><td rowspan="1" colspan="1">C51—C52</td><td rowspan="1" colspan="1">1.386 (3)</td></tr><tr><td rowspan="1" colspan="1">C9—C10</td><td rowspan="1" colspan="1">1.373 (3)</td><td rowspan="1" colspan="1">C51—C56</td><td rowspan="1" colspan="1">1.485 (3)</td></tr><tr><td rowspan="1" colspan="1">C9—C14</td><td rowspan="1" colspan="1">1.385 (3)</td><td rowspan="1" colspan="1">C52—C53</td><td rowspan="1" colspan="1">1.378 (3)</td></tr><tr><td rowspan="1" colspan="1">C9—C15</td><td rowspan="1" colspan="1">1.505 (3)</td><td rowspan="1" colspan="1">C52—H52</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C10—C11</td><td rowspan="1" colspan="1">1.386 (3)</td><td rowspan="1" colspan="1">C53—H53</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C10—H10</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C54—C55</td><td rowspan="1" colspan="1">1.383 (3)</td></tr><tr><td rowspan="1" colspan="1">C11—C12</td><td rowspan="1" colspan="1">1.375 (3)</td><td rowspan="1" colspan="1">C54—H54</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C11—H11</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C55—C56</td><td rowspan="1" colspan="1">1.380 (4)</td></tr><tr><td rowspan="1" colspan="1">C12—O6</td><td rowspan="1" colspan="1">1.371 (2)</td><td rowspan="1" colspan="1">C55—H55</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C12—C13</td><td rowspan="1" colspan="1">1.373 (3)</td><td rowspan="1" colspan="1">C56—C57</td><td rowspan="1" colspan="1">1.377 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.375 (3)</td><td rowspan="1" colspan="1">C57—C58</td><td rowspan="1" colspan="1">1.385 (4)</td></tr><tr><td rowspan="1" colspan="1">C13—H13</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C57—H57</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C14—H14</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C58—H58</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C15—C16</td><td rowspan="1" colspan="1">1.509 (3)</td><td rowspan="1" colspan="1">C59—C60</td><td rowspan="1" colspan="1">1.386 (3)</td></tr><tr><td rowspan="1" colspan="1">C15—H15A</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C59—H59</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C15—H15B</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C60—C61</td><td rowspan="1" colspan="1">1.378 (3)</td></tr><tr><td rowspan="1" colspan="1">C16—O4</td><td rowspan="1" colspan="1">1.246 (2)</td><td rowspan="1" colspan="1">C60—H60</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C16—O5</td><td rowspan="1" colspan="1">1.265 (2)</td><td rowspan="1" colspan="1">C61—C62</td><td rowspan="1" colspan="1">1.387 (3)</td></tr><tr><td rowspan="1" colspan="1">C17—C18</td><td rowspan="1" colspan="1">1.384 (4)</td><td rowspan="1" colspan="1">C61—C66</td><td rowspan="1" colspan="1">1.490 (3)</td></tr><tr><td rowspan="1" colspan="1">C17—C22</td><td rowspan="1" colspan="1">1.385 (3)</td><td rowspan="1" colspan="1">C62—C63</td><td rowspan="1" colspan="1">1.379 (3)</td></tr><tr><td rowspan="1" colspan="1">C17—C23</td><td rowspan="1" colspan="1">1.511 (3)</td><td rowspan="1" colspan="1">C62—H62</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C18—C19</td><td rowspan="1" colspan="1">1.389 (3)</td><td rowspan="1" colspan="1">C63—H63</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C18—H18</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C64—C65</td><td rowspan="1" colspan="1">1.386 (3)</td></tr><tr><td rowspan="1" colspan="1">C19—C20</td><td rowspan="1" colspan="1">1.385 (3)</td><td rowspan="1" colspan="1">C64—H64</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C19—H19</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C65—C66</td><td rowspan="1" colspan="1">1.387 (4)</td></tr><tr><td rowspan="1" colspan="1">C20—O9</td><td rowspan="1" colspan="1">1.371 (3)</td><td rowspan="1" colspan="1">C65—H65</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C20—C21</td><td rowspan="1" colspan="1">1.380 (3)</td><td rowspan="1" colspan="1">C66—C67</td><td rowspan="1" colspan="1">1.385 (4)</td></tr><tr><td rowspan="1" colspan="1">C21—C22</td><td rowspan="1" colspan="1">1.381 (3)</td><td rowspan="1" colspan="1">C67—C68</td><td rowspan="1" colspan="1">1.384 (3)</td></tr><tr><td rowspan="1" colspan="1">C21—H21</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C67—H67</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C22—H22</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C68—H68</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C23—C24</td><td rowspan="1" colspan="1">1.506 (3)</td><td rowspan="1" colspan="1">O1W—H1WA</td><td rowspan="1" colspan="1">0.83 (4)</td></tr><tr><td rowspan="1" colspan="1">C23—H23A</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">O1W—H1WB</td><td rowspan="1" colspan="1">0.830 (17)</td></tr><tr><td rowspan="1" colspan="1">C23—H23B</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">O2W—H2WA</td><td rowspan="1" colspan="1">0.83 (4)</td></tr><tr><td rowspan="1" colspan="1">C24—O7</td><td rowspan="1" colspan="1">1.243 (2)</td><td rowspan="1" colspan="1">O2W—H2WB</td><td rowspan="1" colspan="1">0.812 (17)</td></tr><tr><td rowspan="1" colspan="1">C24—O8</td><td rowspan="1" colspan="1">1.268 (2)</td><td rowspan="1" colspan="1">O3—H3B</td><td rowspan="1" colspan="1">0.8200</td></tr><tr><td rowspan="1" colspan="1">C25—C30</td><td rowspan="1" colspan="1">1.380 (3)</td><td rowspan="1" colspan="1">O3W—H3WB</td><td rowspan="1" colspan="1">0.82 (4)</td></tr><tr><td rowspan="1" colspan="1">C25—C26</td><td rowspan="1" colspan="1">1.385 (3)</td><td rowspan="1" colspan="1">O3W—H3WA</td><td rowspan="1" colspan="1">0.84 (4)</td></tr><tr><td rowspan="1" colspan="1">C25—C31</td><td rowspan="1" colspan="1">1.506 (3)</td><td rowspan="1" colspan="1">O6—H6B</td><td rowspan="1" colspan="1">0.8200</td></tr><tr><td rowspan="1" colspan="1">C26—C27</td><td rowspan="1" colspan="1">1.391 (3)</td><td rowspan="1" colspan="1">O9—H9A</td><td rowspan="1" colspan="1">0.8200</td></tr><tr><td rowspan="1" colspan="1">C26—H26</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">O12—H12</td><td rowspan="1" colspan="1">0.8200</td></tr><tr><td rowspan="1" colspan="1">C27—C28</td><td rowspan="1" colspan="1">1.373 (3)</td><td rowspan="1" colspan="1">O15—H15C</td><td rowspan="1" colspan="1">0.8200</td></tr><tr><td rowspan="1" colspan="1">C27—H27</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">O18—H18B</td><td rowspan="1" colspan="1">0.8200</td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—O5</td><td rowspan="1" colspan="1">145.68 (5)</td><td rowspan="1" colspan="1">C19—C18—H18</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—O10</td><td rowspan="1" colspan="1">79.74 (5)</td><td rowspan="1" colspan="1">C20—C19—C18</td><td rowspan="1" colspan="1">119.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—O10</td><td rowspan="1" colspan="1">73.55 (5)</td><td rowspan="1" colspan="1">C20—C19—H19</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—O4</td><td rowspan="1" colspan="1">149.18 (5)</td><td rowspan="1" colspan="1">C18—C19—H19</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—O4</td><td rowspan="1" colspan="1">54.63 (5)</td><td rowspan="1" colspan="1">O9—C20—C21</td><td rowspan="1" colspan="1">118.1 (2)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—O4</td><td rowspan="1" colspan="1">127.84 (5)</td><td rowspan="1" colspan="1">O9—C20—C19</td><td rowspan="1" colspan="1">122.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—O2</td><td rowspan="1" colspan="1">74.64 (6)</td><td rowspan="1" colspan="1">C21—C20—C19</td><td rowspan="1" colspan="1">119.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—O2</td><td rowspan="1" colspan="1">122.21 (5)</td><td rowspan="1" colspan="1">C20—C21—C22</td><td rowspan="1" colspan="1">120.1 (2)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—O2</td><td rowspan="1" colspan="1">83.66 (5)</td><td rowspan="1" colspan="1">C20—C21—H21</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—O2</td><td rowspan="1" colspan="1">117.27 (6)</td><td rowspan="1" colspan="1">C22—C21—H21</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—O7</td><td rowspan="1" colspan="1">77.95 (6)</td><td rowspan="1" colspan="1">C21—C22—C17</td><td rowspan="1" colspan="1">121.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—O7</td><td rowspan="1" colspan="1">95.38 (6)</td><td rowspan="1" colspan="1">C21—C22—H22</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—O7</td><td rowspan="1" colspan="1">117.22 (5)</td><td rowspan="1" colspan="1">C17—C22—H22</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—O7</td><td rowspan="1" colspan="1">76.65 (6)</td><td rowspan="1" colspan="1">C24—C23—C17</td><td rowspan="1" colspan="1">112.22 (19)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—O7</td><td rowspan="1" colspan="1">141.64 (5)</td><td rowspan="1" colspan="1">C24—C23—H23A</td><td rowspan="1" colspan="1">109.2</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—O1</td><td rowspan="1" colspan="1">127.08 (6)</td><td rowspan="1" colspan="1">C17—C23—H23A</td><td rowspan="1" colspan="1">109.2</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—O1</td><td rowspan="1" colspan="1">75.31 (5)</td><td rowspan="1" colspan="1">C24—C23—H23B</td><td rowspan="1" colspan="1">109.2</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—O1</td><td rowspan="1" colspan="1">91.26 (5)</td><td rowspan="1" colspan="1">C17—C23—H23B</td><td rowspan="1" colspan="1">109.2</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—O1</td><td rowspan="1" colspan="1">71.84 (6)</td><td rowspan="1" colspan="1">H23A—C23—H23B</td><td rowspan="1" colspan="1">107.9</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—O1</td><td rowspan="1" colspan="1">52.49 (5)</td><td rowspan="1" colspan="1">O7—C24—O8</td><td rowspan="1" colspan="1">119.71 (19)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—O1</td><td rowspan="1" colspan="1">146.60 (5)</td><td rowspan="1" colspan="1">O7—C24—C23</td><td rowspan="1" colspan="1">120.06 (18)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—N1</td><td rowspan="1" colspan="1">80.79 (5)</td><td rowspan="1" colspan="1">O8—C24—C23</td><td rowspan="1" colspan="1">120.22 (18)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—N1</td><td rowspan="1" colspan="1">130.56 (5)</td><td rowspan="1" colspan="1">O7—C24—Er1</td><td rowspan="1" colspan="1">56.90 (11)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—N1</td><td rowspan="1" colspan="1">153.76 (5)</td><td rowspan="1" colspan="1">O8—C24—Er1</td><td rowspan="1" colspan="1">63.28 (11)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—N1</td><td rowspan="1" colspan="1">76.11 (5)</td><td rowspan="1" colspan="1">C23—C24—Er1</td><td rowspan="1" colspan="1">171.85 (16)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—N1</td><td rowspan="1" colspan="1">74.32 (5)</td><td rowspan="1" colspan="1">C30—C25—C26</td><td rowspan="1" colspan="1">118.20 (19)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—N1</td><td rowspan="1" colspan="1">75.24 (5)</td><td rowspan="1" colspan="1">C30—C25—C31</td><td rowspan="1" colspan="1">119.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—N1</td><td rowspan="1" colspan="1">86.59 (6)</td><td rowspan="1" colspan="1">C26—C25—C31</td><td rowspan="1" colspan="1">121.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—O8</td><td rowspan="1" colspan="1">73.77 (5)</td><td rowspan="1" colspan="1">C25—C26—C27</td><td rowspan="1" colspan="1">121.1 (2)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—O8</td><td rowspan="1" colspan="1">75.72 (5)</td><td rowspan="1" colspan="1">C25—C26—H26</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—O8</td><td rowspan="1" colspan="1">65.45 (4)</td><td rowspan="1" colspan="1">C27—C26—H26</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—O8</td><td rowspan="1" colspan="1">103.26 (5)</td><td rowspan="1" colspan="1">C28—C27—C26</td><td rowspan="1" colspan="1">119.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—O8</td><td rowspan="1" colspan="1">138.92 (5)</td><td rowspan="1" colspan="1">C28—C27—H27</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—O8</td><td rowspan="1" colspan="1">52.10 (4)</td><td rowspan="1" colspan="1">C26—C27—H27</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—O8</td><td rowspan="1" colspan="1">146.97 (5)</td><td rowspan="1" colspan="1">C27—C28—O12</td><td rowspan="1" colspan="1">122.33 (19)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—O8</td><td rowspan="1" colspan="1">124.76 (5)</td><td rowspan="1" colspan="1">C27—C28—C29</td><td rowspan="1" colspan="1">120.08 (19)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C16</td><td rowspan="1" colspan="1">163.82 (6)</td><td rowspan="1" colspan="1">O12—C28—C29</td><td rowspan="1" colspan="1">117.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C16</td><td rowspan="1" colspan="1">27.64 (5)</td><td rowspan="1" colspan="1">C30—C29—C28</td><td rowspan="1" colspan="1">119.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C16</td><td rowspan="1" colspan="1">100.67 (5)</td><td rowspan="1" colspan="1">C30—C29—H29</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C16</td><td rowspan="1" colspan="1">27.18 (5)</td><td rowspan="1" colspan="1">C28—C29—H29</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C16</td><td rowspan="1" colspan="1">121.53 (6)</td><td rowspan="1" colspan="1">C25—C30—C29</td><td rowspan="1" colspan="1">121.4 (2)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C16</td><td rowspan="1" colspan="1">87.70 (6)</td><td rowspan="1" colspan="1">C25—C30—H30</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C16</td><td rowspan="1" colspan="1">69.08 (6)</td><td rowspan="1" colspan="1">C29—C30—H30</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C16</td><td rowspan="1" colspan="1">102.92 (5)</td><td rowspan="1" colspan="1">C32—C31—C25</td><td rowspan="1" colspan="1">114.86 (17)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C16</td><td rowspan="1" colspan="1">91.58 (5)</td><td rowspan="1" colspan="1">C32—C31—H31A</td><td rowspan="1" colspan="1">108.6</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C8</td><td rowspan="1" colspan="1">100.87 (6)</td><td rowspan="1" colspan="1">C25—C31—H31A</td><td rowspan="1" colspan="1">108.6</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C8</td><td rowspan="1" colspan="1">100.00 (6)</td><td rowspan="1" colspan="1">C32—C31—H31B</td><td rowspan="1" colspan="1">108.6</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C8</td><td rowspan="1" colspan="1">89.38 (5)</td><td rowspan="1" colspan="1">C25—C31—H31B</td><td rowspan="1" colspan="1">108.6</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C8</td><td rowspan="1" colspan="1">93.65 (6)</td><td rowspan="1" colspan="1">H31A—C31—H31B</td><td rowspan="1" colspan="1">107.5</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C8</td><td rowspan="1" colspan="1">26.26 (6)</td><td rowspan="1" colspan="1">O11—C32—O10</td><td rowspan="1" colspan="1">119.11 (19)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C8</td><td rowspan="1" colspan="1">152.25 (5)</td><td rowspan="1" colspan="1">O11—C32—C31</td><td rowspan="1" colspan="1">122.79 (17)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C8</td><td rowspan="1" colspan="1">26.41 (6)</td><td rowspan="1" colspan="1">O10—C32—C31</td><td rowspan="1" colspan="1">118.09 (17)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C8</td><td rowspan="1" colspan="1">77.21 (6)</td><td rowspan="1" colspan="1">O11—C32—Er2</td><td rowspan="1" colspan="1">60.70 (11)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C8</td><td rowspan="1" colspan="1">154.75 (5)</td><td rowspan="1" colspan="1">O10—C32—Er2</td><td rowspan="1" colspan="1">59.49 (10)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—C8</td><td rowspan="1" colspan="1">95.30 (6)</td><td rowspan="1" colspan="1">C31—C32—Er2</td><td rowspan="1" colspan="1">169.24 (15)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C24</td><td rowspan="1" colspan="1">72.34 (6)</td><td rowspan="1" colspan="1">C38—C33—C34</td><td rowspan="1" colspan="1">117.80 (18)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C24</td><td rowspan="1" colspan="1">87.05 (6)</td><td rowspan="1" colspan="1">C38—C33—C39</td><td rowspan="1" colspan="1">121.43 (19)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C24</td><td rowspan="1" colspan="1">91.52 (5)</td><td rowspan="1" colspan="1">C34—C33—C39</td><td rowspan="1" colspan="1">120.77 (19)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C24</td><td rowspan="1" colspan="1">91.39 (6)</td><td rowspan="1" colspan="1">C35—C34—C33</td><td rowspan="1" colspan="1">121.5 (2)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C24</td><td rowspan="1" colspan="1">146.96 (6)</td><td rowspan="1" colspan="1">C35—C34—H34</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C24</td><td rowspan="1" colspan="1">25.73 (5)</td><td rowspan="1" colspan="1">C33—C34—H34</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C24</td><td rowspan="1" colspan="1">160.55 (6)</td><td rowspan="1" colspan="1">C34—C35—C36</td><td rowspan="1" colspan="1">120.2 (2)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C24</td><td rowspan="1" colspan="1">99.15 (6)</td><td rowspan="1" colspan="1">C34—C35—H35</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C24</td><td rowspan="1" colspan="1">26.51 (5)</td><td rowspan="1" colspan="1">C36—C35—H35</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—C24</td><td rowspan="1" colspan="1">91.50 (6)</td><td rowspan="1" colspan="1">O15—C36—C35</td><td rowspan="1" colspan="1">117.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C8—Er1—C24</td><td rowspan="1" colspan="1">172.85 (6)</td><td rowspan="1" colspan="1">O15—C36—C37</td><td rowspan="1" colspan="1">122.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—O14</td><td rowspan="1" colspan="1">129.11 (5)</td><td rowspan="1" colspan="1">C35—C36—C37</td><td rowspan="1" colspan="1">119.51 (19)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—O2W</td><td rowspan="1" colspan="1">78.64 (5)</td><td rowspan="1" colspan="1">C36—C37—C38</td><td rowspan="1" colspan="1">119.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—O2W</td><td rowspan="1" colspan="1">143.03 (6)</td><td rowspan="1" colspan="1">C36—C37—H37</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—O13</td><td rowspan="1" colspan="1">75.23 (5)</td><td rowspan="1" colspan="1">C38—C37—H37</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—O13</td><td rowspan="1" colspan="1">54.55 (5)</td><td rowspan="1" colspan="1">C33—C38—C37</td><td rowspan="1" colspan="1">121.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—O13</td><td rowspan="1" colspan="1">148.14 (5)</td><td rowspan="1" colspan="1">C33—C38—H38</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—O16</td><td rowspan="1" colspan="1">80.14 (5)</td><td rowspan="1" colspan="1">C37—C38—H38</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—O16</td><td rowspan="1" colspan="1">127.19 (5)</td><td rowspan="1" colspan="1">C40—C39—C33</td><td rowspan="1" colspan="1">115.33 (16)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—O16</td><td rowspan="1" colspan="1">75.46 (6)</td><td rowspan="1" colspan="1">C40—C39—H39A</td><td rowspan="1" colspan="1">108.4</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—O16</td><td rowspan="1" colspan="1">116.92 (5)</td><td rowspan="1" colspan="1">C33—C39—H39A</td><td rowspan="1" colspan="1">108.4</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—O17</td><td rowspan="1" colspan="1">99.32 (5)</td><td rowspan="1" colspan="1">C40—C39—H39B</td><td rowspan="1" colspan="1">108.4</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—O17</td><td rowspan="1" colspan="1">77.25 (6)</td><td rowspan="1" colspan="1">C33—C39—H39B</td><td rowspan="1" colspan="1">108.4</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—O17</td><td rowspan="1" colspan="1">127.31 (6)</td><td rowspan="1" colspan="1">H39A—C39—H39B</td><td rowspan="1" colspan="1">107.5</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—O17</td><td rowspan="1" colspan="1">75.31 (5)</td><td rowspan="1" colspan="1">O14—C40—O13</td><td rowspan="1" colspan="1">119.36 (17)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—O17</td><td rowspan="1" colspan="1">52.78 (5)</td><td rowspan="1" colspan="1">O14—C40—C39</td><td rowspan="1" colspan="1">118.66 (17)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—O10</td><td rowspan="1" colspan="1">66.80 (5)</td><td rowspan="1" colspan="1">O13—C40—C39</td><td rowspan="1" colspan="1">121.96 (17)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—O10</td><td rowspan="1" colspan="1">91.38 (5)</td><td rowspan="1" colspan="1">O14—C40—Er2</td><td rowspan="1" colspan="1">59.22 (10)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—O10</td><td rowspan="1" colspan="1">77.23 (5)</td><td rowspan="1" colspan="1">O13—C40—Er2</td><td rowspan="1" colspan="1">60.15 (9)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—O10</td><td rowspan="1" colspan="1">75.92 (5)</td><td rowspan="1" colspan="1">C39—C40—Er2</td><td rowspan="1" colspan="1">176.75 (14)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—O10</td><td rowspan="1" colspan="1">140.46 (5)</td><td rowspan="1" colspan="1">C46—C41—C42</td><td rowspan="1" colspan="1">117.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—O10</td><td rowspan="1" colspan="1">150.48 (5)</td><td rowspan="1" colspan="1">C46—C41—C47</td><td rowspan="1" colspan="1">120.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—O11</td><td rowspan="1" colspan="1">115.63 (5)</td><td rowspan="1" colspan="1">C42—C41—C47</td><td rowspan="1" colspan="1">122.0 (2)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—O11</td><td rowspan="1" colspan="1">72.76 (5)</td><td rowspan="1" colspan="1">C43—C42—C41</td><td rowspan="1" colspan="1">122.0 (2)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—O11</td><td rowspan="1" colspan="1">72.76 (6)</td><td rowspan="1" colspan="1">C43—C42—H42</td><td rowspan="1" colspan="1">119.0</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—O11</td><td rowspan="1" colspan="1">102.66 (5)</td><td rowspan="1" colspan="1">C41—C42—H42</td><td rowspan="1" colspan="1">119.0</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—O11</td><td rowspan="1" colspan="1">140.23 (5)</td><td rowspan="1" colspan="1">C42—C43—C44</td><td rowspan="1" colspan="1">119.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—O11</td><td rowspan="1" colspan="1">143.49 (5)</td><td rowspan="1" colspan="1">C42—C43—H43</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—O11</td><td rowspan="1" colspan="1">51.35 (4)</td><td rowspan="1" colspan="1">C44—C43—H43</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—N3</td><td rowspan="1" colspan="1">153.52 (5)</td><td rowspan="1" colspan="1">O18—C44—C43</td><td rowspan="1" colspan="1">117.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—N3</td><td rowspan="1" colspan="1">76.20 (5)</td><td rowspan="1" colspan="1">O18—C44—C45</td><td rowspan="1" colspan="1">122.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—N3</td><td rowspan="1" colspan="1">83.00 (5)</td><td rowspan="1" colspan="1">C43—C44—C45</td><td rowspan="1" colspan="1">119.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—N3</td><td rowspan="1" colspan="1">127.36 (5)</td><td rowspan="1" colspan="1">C46—C45—C44</td><td rowspan="1" colspan="1">119.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—N3</td><td rowspan="1" colspan="1">76.87 (5)</td><td rowspan="1" colspan="1">C46—C45—H45</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—N3</td><td rowspan="1" colspan="1">76.94 (6)</td><td rowspan="1" colspan="1">C44—C45—H45</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—N3</td><td rowspan="1" colspan="1">127.16 (5)</td><td rowspan="1" colspan="1">C45—C46—C41</td><td rowspan="1" colspan="1">121.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—N3</td><td rowspan="1" colspan="1">76.10 (5)</td><td rowspan="1" colspan="1">C45—C46—H46</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C40</td><td rowspan="1" colspan="1">102.34 (5)</td><td rowspan="1" colspan="1">C41—C46—H46</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C40</td><td rowspan="1" colspan="1">27.19 (5)</td><td rowspan="1" colspan="1">C48—C47—C41</td><td rowspan="1" colspan="1">111.65 (18)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C40</td><td rowspan="1" colspan="1">158.33 (6)</td><td rowspan="1" colspan="1">C48—C47—H47A</td><td rowspan="1" colspan="1">109.3</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C40</td><td rowspan="1" colspan="1">27.36 (5)</td><td rowspan="1" colspan="1">C41—C47—H47A</td><td rowspan="1" colspan="1">109.3</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C40</td><td rowspan="1" colspan="1">126.18 (6)</td><td rowspan="1" colspan="1">C48—C47—H47B</td><td rowspan="1" colspan="1">109.3</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C40</td><td rowspan="1" colspan="1">74.19 (6)</td><td rowspan="1" colspan="1">C41—C47—H47B</td><td rowspan="1" colspan="1">109.3</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C40</td><td rowspan="1" colspan="1">83.26 (5)</td><td rowspan="1" colspan="1">H47A—C47—H47B</td><td rowspan="1" colspan="1">108.0</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C40</td><td rowspan="1" colspan="1">87.74 (5)</td><td rowspan="1" colspan="1">O16—C48—O17</td><td rowspan="1" colspan="1">119.0 (2)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C40</td><td rowspan="1" colspan="1">101.76 (5)</td><td rowspan="1" colspan="1">O16—C48—C47</td><td rowspan="1" colspan="1">120.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C48</td><td rowspan="1" colspan="1">91.40 (5)</td><td rowspan="1" colspan="1">O17—C48—C47</td><td rowspan="1" colspan="1">120.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C48</td><td rowspan="1" colspan="1">101.95 (6)</td><td rowspan="1" colspan="1">O16—C48—Er2</td><td rowspan="1" colspan="1">57.88 (11)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C48</td><td rowspan="1" colspan="1">100.90 (6)</td><td rowspan="1" colspan="1">O17—C48—Er2</td><td rowspan="1" colspan="1">61.55 (11)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C48</td><td rowspan="1" colspan="1">97.68 (6)</td><td rowspan="1" colspan="1">C47—C48—Er2</td><td rowspan="1" colspan="1">172.10 (14)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C48</td><td rowspan="1" colspan="1">26.26 (6)</td><td rowspan="1" colspan="1">N1—C49—C50</td><td rowspan="1" colspan="1">123.4 (2)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C48</td><td rowspan="1" colspan="1">26.64 (6)</td><td rowspan="1" colspan="1">N1—C49—H49</td><td rowspan="1" colspan="1">118.3</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C48</td><td rowspan="1" colspan="1">158.14 (5)</td><td rowspan="1" colspan="1">C50—C49—H49</td><td rowspan="1" colspan="1">118.3</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C48</td><td rowspan="1" colspan="1">149.45 (5)</td><td rowspan="1" colspan="1">C49—C50—C51</td><td rowspan="1" colspan="1">119.5 (2)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C48</td><td rowspan="1" colspan="1">73.45 (6)</td><td rowspan="1" colspan="1">C49—C50—H50</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—C48</td><td rowspan="1" colspan="1">100.72 (6)</td><td rowspan="1" colspan="1">C51—C50—H50</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C32</td><td rowspan="1" colspan="1">90.60 (5)</td><td rowspan="1" colspan="1">C52—C51—C50</td><td rowspan="1" colspan="1">117.21 (18)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C32</td><td rowspan="1" colspan="1">83.90 (6)</td><td rowspan="1" colspan="1">C52—C51—C56</td><td rowspan="1" colspan="1">121.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C32</td><td rowspan="1" colspan="1">70.41 (6)</td><td rowspan="1" colspan="1">C50—C51—C56</td><td rowspan="1" colspan="1">121.0 (2)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C32</td><td rowspan="1" colspan="1">91.82 (5)</td><td rowspan="1" colspan="1">C53—C52—C51</td><td rowspan="1" colspan="1">119.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C32</td><td rowspan="1" colspan="1">145.78 (5)</td><td rowspan="1" colspan="1">C53—C52—H52</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C32</td><td rowspan="1" colspan="1">160.99 (5)</td><td rowspan="1" colspan="1">C51—C52—H52</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C32</td><td rowspan="1" colspan="1">26.08 (5)</td><td rowspan="1" colspan="1">N1—C53—C52</td><td rowspan="1" colspan="1">123.4 (2)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C32</td><td rowspan="1" colspan="1">25.57 (5)</td><td rowspan="1" colspan="1">N1—C53—H53</td><td rowspan="1" colspan="1">118.3</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C32</td><td rowspan="1" colspan="1">101.08 (5)</td><td rowspan="1" colspan="1">C52—C53—H53</td><td rowspan="1" colspan="1">118.3</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—C32</td><td rowspan="1" colspan="1">87.92 (6)</td><td rowspan="1" colspan="1">N2—C54—C55</td><td rowspan="1" colspan="1">124.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C48—Er2—C32</td><td rowspan="1" colspan="1">170.50 (6)</td><td rowspan="1" colspan="1">N2—C54—H54</td><td rowspan="1" colspan="1">117.7</td></tr><tr><td rowspan="1" colspan="1">C49—N1—C53</td><td rowspan="1" colspan="1">116.82 (17)</td><td rowspan="1" colspan="1">C55—C54—H54</td><td rowspan="1" colspan="1">117.7</td></tr><tr><td rowspan="1" colspan="1">C49—N1—Er1</td><td rowspan="1" colspan="1">123.99 (13)</td><td rowspan="1" colspan="1">C56—C55—C54</td><td rowspan="1" colspan="1">119.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C53—N1—Er1</td><td rowspan="1" colspan="1">118.96 (13)</td><td rowspan="1" colspan="1">C56—C55—H55</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C58—N2—C54</td><td rowspan="1" colspan="1">115.9 (2)</td><td rowspan="1" colspan="1">C54—C55—H55</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C59—N3—C63</td><td rowspan="1" colspan="1">116.50 (17)</td><td rowspan="1" colspan="1">C57—C56—C55</td><td rowspan="1" colspan="1">116.7 (2)</td></tr><tr><td rowspan="1" colspan="1">C59—N3—Er2</td><td rowspan="1" colspan="1">121.24 (13)</td><td rowspan="1" colspan="1">C57—C56—C51</td><td rowspan="1" colspan="1">122.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C63—N3—Er2</td><td rowspan="1" colspan="1">122.07 (13)</td><td rowspan="1" colspan="1">C55—C56—C51</td><td rowspan="1" colspan="1">121.1 (2)</td></tr><tr><td rowspan="1" colspan="1">C64—N4—C68</td><td rowspan="1" colspan="1">116.3 (2)</td><td rowspan="1" colspan="1">C56—C57—C58</td><td rowspan="1" colspan="1">119.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C6</td><td rowspan="1" colspan="1">117.8 (2)</td><td rowspan="1" colspan="1">C56—C57—H57</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C7</td><td rowspan="1" colspan="1">122.2 (2)</td><td rowspan="1" colspan="1">C58—C57—H57</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">C6—C1—C7</td><td rowspan="1" colspan="1">119.97 (19)</td><td rowspan="1" colspan="1">N2—C58—C57</td><td rowspan="1" colspan="1">124.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C1</td><td rowspan="1" colspan="1">121.1 (2)</td><td rowspan="1" colspan="1">N2—C58—H58</td><td rowspan="1" colspan="1">118.0</td></tr><tr><td rowspan="1" colspan="1">C3—C2—H2</td><td rowspan="1" colspan="1">119.4</td><td rowspan="1" colspan="1">C57—C58—H58</td><td rowspan="1" colspan="1">118.0</td></tr><tr><td rowspan="1" colspan="1">C1—C2—H2</td><td rowspan="1" colspan="1">119.4</td><td rowspan="1" colspan="1">N3—C59—C60</td><td rowspan="1" colspan="1">123.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C4—C3—C2</td><td rowspan="1" colspan="1">120.1 (2)</td><td rowspan="1" colspan="1">N3—C59—H59</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">C4—C3—H3</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C60—C59—H59</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">C2—C3—H3</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C61—C60—C59</td><td rowspan="1" colspan="1">120.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—O3</td><td rowspan="1" colspan="1">118.6 (2)</td><td rowspan="1" colspan="1">C61—C60—H60</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5</td><td rowspan="1" colspan="1">119.7 (2)</td><td rowspan="1" colspan="1">C59—C60—H60</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O3—C4—C5</td><td rowspan="1" colspan="1">121.7 (2)</td><td rowspan="1" colspan="1">C60—C61—C62</td><td rowspan="1" colspan="1">116.39 (18)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6</td><td rowspan="1" colspan="1">119.9 (2)</td><td rowspan="1" colspan="1">C60—C61—C66</td><td rowspan="1" colspan="1">120.9 (2)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—H5</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C62—C61—C66</td><td rowspan="1" colspan="1">122.6 (2)</td></tr><tr><td rowspan="1" colspan="1">C6—C5—H5</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C63—C62—C61</td><td rowspan="1" colspan="1">120.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C1</td><td rowspan="1" colspan="1">121.4 (2)</td><td rowspan="1" colspan="1">C63—C62—H62</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C5—C6—H6</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">C61—C62—H62</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C1—C6—H6</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">N3—C63—C62</td><td rowspan="1" colspan="1">123.4 (2)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C1</td><td rowspan="1" colspan="1">111.32 (17)</td><td rowspan="1" colspan="1">N3—C63—H63</td><td rowspan="1" colspan="1">118.3</td></tr><tr><td rowspan="1" colspan="1">C8—C7—H7A</td><td rowspan="1" colspan="1">109.4</td><td rowspan="1" colspan="1">C62—C63—H63</td><td rowspan="1" colspan="1">118.3</td></tr><tr><td rowspan="1" colspan="1">C1—C7—H7A</td><td rowspan="1" colspan="1">109.4</td><td rowspan="1" colspan="1">N4—C64—C65</td><td rowspan="1" colspan="1">123.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—H7B</td><td rowspan="1" colspan="1">109.4</td><td rowspan="1" colspan="1">N4—C64—H64</td><td rowspan="1" colspan="1">118.1</td></tr><tr><td rowspan="1" colspan="1">C1—C7—H7B</td><td rowspan="1" colspan="1">109.4</td><td rowspan="1" colspan="1">C65—C64—H64</td><td rowspan="1" colspan="1">118.1</td></tr><tr><td rowspan="1" colspan="1">H7A—C7—H7B</td><td rowspan="1" colspan="1">108.0</td><td rowspan="1" colspan="1">C64—C65—C66</td><td rowspan="1" colspan="1">119.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O1—C8—O2</td><td rowspan="1" colspan="1">119.2 (2)</td><td rowspan="1" colspan="1">C64—C65—H65</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">O1—C8—C7</td><td rowspan="1" colspan="1">121.0 (2)</td><td rowspan="1" colspan="1">C66—C65—H65</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">O2—C8—C7</td><td rowspan="1" colspan="1">119.8 (2)</td><td rowspan="1" colspan="1">C67—C66—C65</td><td rowspan="1" colspan="1">116.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O1—C8—Er1</td><td rowspan="1" colspan="1">62.80 (12)</td><td rowspan="1" colspan="1">C67—C66—C61</td><td rowspan="1" colspan="1">121.1 (2)</td></tr><tr><td rowspan="1" colspan="1">O2—C8—Er1</td><td rowspan="1" colspan="1">57.01 (11)</td><td rowspan="1" colspan="1">C65—C66—C61</td><td rowspan="1" colspan="1">122.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C7—C8—Er1</td><td rowspan="1" colspan="1">169.72 (14)</td><td rowspan="1" colspan="1">C68—C67—C66</td><td rowspan="1" colspan="1">119.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C10—C9—C14</td><td rowspan="1" colspan="1">117.3 (2)</td><td rowspan="1" colspan="1">C68—C67—H67</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C10—C9—C15</td><td rowspan="1" colspan="1">121.9 (2)</td><td rowspan="1" colspan="1">C66—C67—H67</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C14—C9—C15</td><td rowspan="1" colspan="1">120.8 (2)</td><td rowspan="1" colspan="1">N4—C68—C67</td><td rowspan="1" colspan="1">124.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C9—C10—C11</td><td rowspan="1" colspan="1">122.2 (2)</td><td rowspan="1" colspan="1">N4—C68—H68</td><td rowspan="1" colspan="1">117.8</td></tr><tr><td rowspan="1" colspan="1">C9—C10—H10</td><td rowspan="1" colspan="1">118.9</td><td rowspan="1" colspan="1">C67—C68—H68</td><td rowspan="1" colspan="1">117.8</td></tr><tr><td rowspan="1" colspan="1">C11—C10—H10</td><td rowspan="1" colspan="1">118.9</td><td rowspan="1" colspan="1">Er1—O1W—H1WA</td><td rowspan="1" colspan="1">123 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—C11—C10</td><td rowspan="1" colspan="1">119.1 (2)</td><td rowspan="1" colspan="1">Er1—O1W—H1WB</td><td rowspan="1" colspan="1">132 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—C11—H11</td><td rowspan="1" colspan="1">120.4</td><td rowspan="1" colspan="1">H1WA—O1W—H1WB</td><td rowspan="1" colspan="1">103 (2)</td></tr><tr><td rowspan="1" colspan="1">C10—C11—H11</td><td rowspan="1" colspan="1">120.4</td><td rowspan="1" colspan="1">C8—O1—Er1</td><td rowspan="1" colspan="1">90.79 (13)</td></tr><tr><td rowspan="1" colspan="1">O6—C12—C13</td><td rowspan="1" colspan="1">117.7 (2)</td><td rowspan="1" colspan="1">Er2—O2W—H2WA</td><td rowspan="1" colspan="1">123 (2)</td></tr><tr><td rowspan="1" colspan="1">O6—C12—C11</td><td rowspan="1" colspan="1">122.5 (2)</td><td rowspan="1" colspan="1">Er2—O2W—H2WB</td><td rowspan="1" colspan="1">131 (2)</td></tr><tr><td rowspan="1" colspan="1">C13—C12—C11</td><td rowspan="1" colspan="1">119.8 (2)</td><td rowspan="1" colspan="1">H2WA—O2W—H2WB</td><td rowspan="1" colspan="1">105 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—C13—C14</td><td rowspan="1" colspan="1">120.2 (2)</td><td rowspan="1" colspan="1">C8—O2—Er1</td><td rowspan="1" colspan="1">96.74 (13)</td></tr><tr><td rowspan="1" colspan="1">C12—C13—H13</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C4—O3—H3B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C14—C13—H13</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">H3WB—O3W—H3WA</td><td rowspan="1" colspan="1">105 (2)</td></tr><tr><td rowspan="1" colspan="1">C13—C14—C9</td><td rowspan="1" colspan="1">121.4 (2)</td><td rowspan="1" colspan="1">C16—O4—Er1</td><td rowspan="1" colspan="1">92.22 (12)</td></tr><tr><td rowspan="1" colspan="1">C13—C14—H14</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">C16—O5—Er1</td><td rowspan="1" colspan="1">92.05 (11)</td></tr><tr><td rowspan="1" colspan="1">C9—C14—H14</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1">C12—O6—H6B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C9—C15—C16</td><td rowspan="1" colspan="1">115.35 (18)</td><td rowspan="1" colspan="1">C24—O7—Er1</td><td rowspan="1" colspan="1">97.37 (12)</td></tr><tr><td rowspan="1" colspan="1">C9—C15—H15A</td><td rowspan="1" colspan="1">108.4</td><td rowspan="1" colspan="1">C24—O8—Er2</td><td rowspan="1" colspan="1">153.46 (14)</td></tr><tr><td rowspan="1" colspan="1">C16—C15—H15A</td><td rowspan="1" colspan="1">108.4</td><td rowspan="1" colspan="1">C24—O8—Er1</td><td rowspan="1" colspan="1">90.21 (12)</td></tr><tr><td rowspan="1" colspan="1">C9—C15—H15B</td><td rowspan="1" colspan="1">108.4</td><td rowspan="1" colspan="1">Er2—O8—Er1</td><td rowspan="1" colspan="1">114.09 (5)</td></tr><tr><td rowspan="1" colspan="1">C16—C15—H15B</td><td rowspan="1" colspan="1">108.4</td><td rowspan="1" colspan="1">C20—O9—H9A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">H15A—C15—H15B</td><td rowspan="1" colspan="1">107.5</td><td rowspan="1" colspan="1">C32—O10—Er1</td><td rowspan="1" colspan="1">142.26 (13)</td></tr><tr><td rowspan="1" colspan="1">O4—C16—O5</td><td rowspan="1" colspan="1">120.27 (18)</td><td rowspan="1" colspan="1">C32—O10—Er2</td><td rowspan="1" colspan="1">94.43 (12)</td></tr><tr><td rowspan="1" colspan="1">O4—C16—C15</td><td rowspan="1" colspan="1">119.32 (18)</td><td rowspan="1" colspan="1">Er1—O10—Er2</td><td rowspan="1" colspan="1">113.66 (5)</td></tr><tr><td rowspan="1" colspan="1">O5—C16—C15</td><td rowspan="1" colspan="1">120.38 (17)</td><td rowspan="1" colspan="1">C32—O11—Er2</td><td rowspan="1" colspan="1">93.72 (12)</td></tr><tr><td rowspan="1" colspan="1">O4—C16—Er1</td><td rowspan="1" colspan="1">60.59 (10)</td><td rowspan="1" colspan="1">C28—O12—H12</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O5—C16—Er1</td><td rowspan="1" colspan="1">60.31 (10)</td><td rowspan="1" colspan="1">C40—O13—Er2</td><td rowspan="1" colspan="1">92.48 (11)</td></tr><tr><td rowspan="1" colspan="1">C15—C16—Er1</td><td rowspan="1" colspan="1">170.25 (17)</td><td rowspan="1" colspan="1">C40—O14—Er2</td><td rowspan="1" colspan="1">93.59 (11)</td></tr><tr><td rowspan="1" colspan="1">C18—C17—C22</td><td rowspan="1" colspan="1">118.0 (2)</td><td rowspan="1" colspan="1">C36—O15—H15C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C18—C17—C23</td><td rowspan="1" colspan="1">120.9 (2)</td><td rowspan="1" colspan="1">C48—O16—Er2</td><td rowspan="1" colspan="1">95.86 (13)</td></tr><tr><td rowspan="1" colspan="1">C22—C17—C23</td><td rowspan="1" colspan="1">121.1 (2)</td><td rowspan="1" colspan="1">C48—O17—Er2</td><td rowspan="1" colspan="1">91.80 (13)</td></tr><tr><td rowspan="1" colspan="1">C17—C18—C19</td><td rowspan="1" colspan="1">121.4 (2)</td><td rowspan="1" colspan="1">C44—O18—H18B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C17—C18—H18</td><td rowspan="1" colspan="1">119.3</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—N1—C49</td><td rowspan="1" colspan="1">51.42 (17)</td><td rowspan="1" colspan="1">C40—Er2—C48—O17</td><td rowspan="1" colspan="1">−5.39 (13)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—N1—C49</td><td rowspan="1" colspan="1">−144.33 (15)</td><td rowspan="1" colspan="1">C53—N1—C49—C50</td><td rowspan="1" colspan="1">1.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—N1—C49</td><td rowspan="1" colspan="1">8.9 (2)</td><td rowspan="1" colspan="1">Er1—N1—C49—C50</td><td rowspan="1" colspan="1">−172.94 (16)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—N1—C49</td><td rowspan="1" colspan="1">−149.13 (18)</td><td rowspan="1" colspan="1">N1—C49—C50—C51</td><td rowspan="1" colspan="1">0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—N1—C49</td><td rowspan="1" colspan="1">−25.09 (16)</td><td rowspan="1" colspan="1">C49—C50—C51—C52</td><td rowspan="1" colspan="1">−2.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—N1—C49</td><td rowspan="1" colspan="1">131.28 (17)</td><td rowspan="1" colspan="1">C49—C50—C51—C56</td><td rowspan="1" colspan="1">176.0 (2)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—N1—C49</td><td rowspan="1" colspan="1">−77.00 (17)</td><td rowspan="1" colspan="1">C50—C51—C52—C53</td><td rowspan="1" colspan="1">1.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—N1—C49</td><td rowspan="1" colspan="1">114.21 (16)</td><td rowspan="1" colspan="1">C56—C51—C52—C53</td><td rowspan="1" colspan="1">−176.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—N1—C49</td><td rowspan="1" colspan="1">−144.62 (17)</td><td rowspan="1" colspan="1">C49—N1—C53—C52</td><td rowspan="1" colspan="1">−1.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—Er1—N1—C49</td><td rowspan="1" colspan="1">−52.03 (17)</td><td rowspan="1" colspan="1">Er1—N1—C53—C52</td><td rowspan="1" colspan="1">172.85 (18)</td></tr><tr><td rowspan="1" colspan="1">C24—Er1—N1—C49</td><td rowspan="1" colspan="1">121.70 (17)</td><td rowspan="1" colspan="1">C51—C52—C53—N1</td><td rowspan="1" colspan="1">0.4 (4)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—N1—C53</td><td rowspan="1" colspan="1">−122.96 (17)</td><td rowspan="1" colspan="1">C58—N2—C54—C55</td><td rowspan="1" colspan="1">2.1 (5)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—N1—C53</td><td rowspan="1" colspan="1">41.28 (19)</td><td rowspan="1" colspan="1">N2—C54—C55—C56</td><td rowspan="1" colspan="1">−1.1 (5)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—N1—C53</td><td rowspan="1" colspan="1">−165.47 (14)</td><td rowspan="1" colspan="1">C54—C55—C56—C57</td><td rowspan="1" colspan="1">−1.3 (4)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—N1—C53</td><td rowspan="1" colspan="1">36.48 (16)</td><td rowspan="1" colspan="1">C54—C55—C56—C51</td><td rowspan="1" colspan="1">175.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—N1—C53</td><td rowspan="1" colspan="1">160.52 (17)</td><td rowspan="1" colspan="1">C52—C51—C56—C57</td><td rowspan="1" colspan="1">−154.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—N1—C53</td><td rowspan="1" colspan="1">−43.10 (16)</td><td rowspan="1" colspan="1">C50—C51—C56—C57</td><td rowspan="1" colspan="1">27.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—N1—C53</td><td rowspan="1" colspan="1">108.61 (16)</td><td rowspan="1" colspan="1">C52—C51—C56—C55</td><td rowspan="1" colspan="1">28.1 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—N1—C53</td><td rowspan="1" colspan="1">−60.17 (17)</td><td rowspan="1" colspan="1">C50—C51—C56—C55</td><td rowspan="1" colspan="1">−149.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—N1—C53</td><td rowspan="1" colspan="1">40.99 (17)</td><td rowspan="1" colspan="1">C55—C56—C57—C58</td><td rowspan="1" colspan="1">2.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C8—Er1—N1—C53</td><td rowspan="1" colspan="1">133.58 (17)</td><td rowspan="1" colspan="1">C51—C56—C57—C58</td><td rowspan="1" colspan="1">−174.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C24—Er1—N1—C53</td><td rowspan="1" colspan="1">−52.69 (17)</td><td rowspan="1" colspan="1">C54—N2—C58—C57</td><td rowspan="1" colspan="1">−0.5 (5)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—N3—C59</td><td rowspan="1" colspan="1">0.2 (2)</td><td rowspan="1" colspan="1">C56—C57—C58—N2</td><td rowspan="1" colspan="1">−1.9 (5)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—N3—C59</td><td rowspan="1" colspan="1">164.69 (17)</td><td rowspan="1" colspan="1">C63—N3—C59—C60</td><td rowspan="1" colspan="1">−2.1 (3)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—N3—C59</td><td rowspan="1" colspan="1">−46.10 (16)</td><td rowspan="1" colspan="1">Er2—N3—C59—C60</td><td rowspan="1" colspan="1">172.80 (17)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—N3—C59</td><td rowspan="1" colspan="1">144.55 (15)</td><td rowspan="1" colspan="1">N3—C59—C60—C61</td><td rowspan="1" colspan="1">−1.6 (4)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—N3—C59</td><td rowspan="1" colspan="1">30.55 (16)</td><td rowspan="1" colspan="1">C59—C60—C61—C62</td><td rowspan="1" colspan="1">4.1 (3)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—N3—C59</td><td rowspan="1" colspan="1">84.85 (16)</td><td rowspan="1" colspan="1">C59—C60—C61—C66</td><td rowspan="1" colspan="1">−173.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—N3—C59</td><td rowspan="1" colspan="1">−114.23 (16)</td><td rowspan="1" colspan="1">C60—C61—C62—C63</td><td rowspan="1" colspan="1">−3.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—N3—C59</td><td rowspan="1" colspan="1">−120.00 (16)</td><td rowspan="1" colspan="1">C66—C61—C62—C63</td><td rowspan="1" colspan="1">174.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—N3—C59</td><td rowspan="1" colspan="1">155.34 (16)</td><td rowspan="1" colspan="1">C59—N3—C63—C62</td><td rowspan="1" colspan="1">3.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C48—Er2—N3—C59</td><td rowspan="1" colspan="1">57.51 (16)</td><td rowspan="1" colspan="1">Er2—N3—C63—C62</td><td rowspan="1" colspan="1">−171.53 (17)</td></tr><tr><td rowspan="1" colspan="1">C32—Er2—N3—C59</td><td rowspan="1" colspan="1">−114.49 (16)</td><td rowspan="1" colspan="1">C61—C62—C63—N3</td><td rowspan="1" colspan="1">−0.8 (4)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—N3—C63</td><td rowspan="1" colspan="1">174.81 (14)</td><td rowspan="1" colspan="1">C68—N4—C64—C65</td><td rowspan="1" colspan="1">0.7 (4)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—N3—C63</td><td rowspan="1" colspan="1">−20.66 (16)</td><td rowspan="1" colspan="1">N4—C64—C65—C66</td><td rowspan="1" colspan="1">1.4 (4)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—N3—C63</td><td rowspan="1" colspan="1">128.56 (17)</td><td rowspan="1" colspan="1">C64—C65—C66—C67</td><td rowspan="1" colspan="1">−2.1 (4)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—N3—C63</td><td rowspan="1" colspan="1">−40.79 (19)</td><td rowspan="1" colspan="1">C64—C65—C66—C61</td><td rowspan="1" colspan="1">174.5 (2)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—N3—C63</td><td rowspan="1" colspan="1">−154.80 (17)</td><td rowspan="1" colspan="1">C60—C61—C66—C67</td><td rowspan="1" colspan="1">159.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—N3—C63</td><td rowspan="1" colspan="1">−100.50 (17)</td><td rowspan="1" colspan="1">C62—C61—C66—C67</td><td rowspan="1" colspan="1">−17.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—N3—C63</td><td rowspan="1" colspan="1">60.43 (18)</td><td rowspan="1" colspan="1">C60—C61—C66—C65</td><td rowspan="1" colspan="1">−16.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—N3—C63</td><td rowspan="1" colspan="1">54.66 (16)</td><td rowspan="1" colspan="1">C62—C61—C66—C65</td><td rowspan="1" colspan="1">166.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—N3—C63</td><td rowspan="1" colspan="1">−30.00 (17)</td><td rowspan="1" colspan="1">C65—C66—C67—C68</td><td rowspan="1" colspan="1">0.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C48—Er2—N3—C63</td><td rowspan="1" colspan="1">−127.84 (17)</td><td rowspan="1" colspan="1">C61—C66—C67—C68</td><td rowspan="1" colspan="1">−175.7 (2)</td></tr><tr><td rowspan="1" colspan="1">C32—Er2—N3—C63</td><td rowspan="1" colspan="1">60.16 (17)</td><td rowspan="1" colspan="1">C64—N4—C68—C67</td><td rowspan="1" colspan="1">−2.0 (4)</td></tr><tr><td rowspan="1" colspan="1">C6—C1—C2—C3</td><td rowspan="1" colspan="1">−1.1 (4)</td><td rowspan="1" colspan="1">C66—C67—C68—N4</td><td rowspan="1" colspan="1">1.2 (5)</td></tr><tr><td rowspan="1" colspan="1">C7—C1—C2—C3</td><td rowspan="1" colspan="1">−179.4 (2)</td><td rowspan="1" colspan="1">O2—C8—O1—Er1</td><td rowspan="1" colspan="1">8.74 (19)</td></tr><tr><td rowspan="1" colspan="1">C1—C2—C3—C4</td><td rowspan="1" colspan="1">0.6 (4)</td><td rowspan="1" colspan="1">C7—C8—O1—Er1</td><td rowspan="1" colspan="1">−169.05 (16)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—O3</td><td rowspan="1" colspan="1">−179.8 (2)</td><td rowspan="1" colspan="1">O1W—Er1—O1—C8</td><td rowspan="1" colspan="1">−8.01 (14)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C5</td><td rowspan="1" colspan="1">1.0 (4)</td><td rowspan="1" colspan="1">O5—Er1—O1—C8</td><td rowspan="1" colspan="1">−158.70 (13)</td></tr><tr><td rowspan="1" colspan="1">O3—C4—C5—C6</td><td rowspan="1" colspan="1">178.8 (2)</td><td rowspan="1" colspan="1">O10—Er1—O1—C8</td><td rowspan="1" colspan="1">−86.08 (12)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5—C6</td><td rowspan="1" colspan="1">−1.9 (4)</td><td rowspan="1" colspan="1">O4—Er1—O1—C8</td><td rowspan="1" colspan="1">144.24 (13)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6—C1</td><td rowspan="1" colspan="1">1.4 (4)</td><td rowspan="1" colspan="1">O2—Er1—O1—C8</td><td rowspan="1" colspan="1">−5.06 (11)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C6—C5</td><td rowspan="1" colspan="1">0.1 (4)</td><td rowspan="1" colspan="1">O7—Er1—O1—C8</td><td rowspan="1" colspan="1">124.10 (13)</td></tr><tr><td rowspan="1" colspan="1">C7—C1—C6—C5</td><td rowspan="1" colspan="1">178.5 (2)</td><td rowspan="1" colspan="1">N1—Er1—O1—C8</td><td rowspan="1" colspan="1">67.75 (12)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—C7—C8</td><td rowspan="1" colspan="1">−47.9 (3)</td><td rowspan="1" colspan="1">O8—Er1—O1—C8</td><td rowspan="1" colspan="1">−129.30 (12)</td></tr><tr><td rowspan="1" colspan="1">C6—C1—C7—C8</td><td rowspan="1" colspan="1">133.8 (2)</td><td rowspan="1" colspan="1">C16—Er1—O1—C8</td><td rowspan="1" colspan="1">172.97 (13)</td></tr><tr><td rowspan="1" colspan="1">C1—C7—C8—O1</td><td rowspan="1" colspan="1">96.6 (2)</td><td rowspan="1" colspan="1">C24—Er1—O1—C8</td><td rowspan="1" colspan="1">175.78 (14)</td></tr><tr><td rowspan="1" colspan="1">C1—C7—C8—O2</td><td rowspan="1" colspan="1">−81.2 (2)</td><td rowspan="1" colspan="1">O1—C8—O2—Er1</td><td rowspan="1" colspan="1">−9.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C1—C7—C8—Er1</td><td rowspan="1" colspan="1">−12.1 (10)</td><td rowspan="1" colspan="1">C7—C8—O2—Er1</td><td rowspan="1" colspan="1">168.54 (15)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C8—O1</td><td rowspan="1" colspan="1">173.50 (12)</td><td rowspan="1" colspan="1">O1W—Er1—O2—C8</td><td rowspan="1" colspan="1">−177.35 (12)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C8—O1</td><td rowspan="1" colspan="1">20.91 (13)</td><td rowspan="1" colspan="1">O5—Er1—O2—C8</td><td rowspan="1" colspan="1">35.60 (13)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C8—O1</td><td rowspan="1" colspan="1">94.08 (12)</td><td rowspan="1" colspan="1">O10—Er1—O2—C8</td><td rowspan="1" colspan="1">101.59 (12)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C8—O1</td><td rowspan="1" colspan="1">−33.81 (12)</td><td rowspan="1" colspan="1">O4—Er1—O2—C8</td><td rowspan="1" colspan="1">−27.99 (13)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C8—O1</td><td rowspan="1" colspan="1">170.90 (19)</td><td rowspan="1" colspan="1">O7—Er1—O2—C8</td><td rowspan="1" colspan="1">−131.46 (12)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C8—O1</td><td rowspan="1" colspan="1">−101.76 (16)</td><td rowspan="1" colspan="1">O1—Er1—O2—C8</td><td rowspan="1" colspan="1">5.09 (11)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C8—O1</td><td rowspan="1" colspan="1">−108.66 (12)</td><td rowspan="1" colspan="1">N1—Er1—O2—C8</td><td rowspan="1" colspan="1">−92.81 (12)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C8—O1</td><td rowspan="1" colspan="1">98.58 (16)</td><td rowspan="1" colspan="1">O8—Er1—O2—C8</td><td rowspan="1" colspan="1">141.80 (11)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—C8—O1</td><td rowspan="1" colspan="1">−6.59 (13)</td><td rowspan="1" colspan="1">C16—Er1—O2—C8</td><td rowspan="1" colspan="1">2.94 (14)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C8—O2</td><td rowspan="1" colspan="1">2.60 (12)</td><td rowspan="1" colspan="1">C24—Er1—O2—C8</td><td rowspan="1" colspan="1">−175.42 (11)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C8—O2</td><td rowspan="1" colspan="1">−149.99 (11)</td><td rowspan="1" colspan="1">O5—C16—O4—Er1</td><td rowspan="1" colspan="1">9.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C8—O2</td><td rowspan="1" colspan="1">−76.82 (12)</td><td rowspan="1" colspan="1">C15—C16—O4—Er1</td><td rowspan="1" colspan="1">−168.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C8—O2</td><td rowspan="1" colspan="1">155.30 (12)</td><td rowspan="1" colspan="1">O1W—Er1—O4—C16</td><td rowspan="1" colspan="1">−147.08 (13)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C8—O2</td><td rowspan="1" colspan="1">87.34 (17)</td><td rowspan="1" colspan="1">O5—Er1—O4—C16</td><td rowspan="1" colspan="1">−5.18 (12)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C8—O2</td><td rowspan="1" colspan="1">−170.90 (19)</td><td rowspan="1" colspan="1">O10—Er1—O4—C16</td><td rowspan="1" colspan="1">2.44 (16)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C8—O2</td><td rowspan="1" colspan="1">80.44 (12)</td><td rowspan="1" colspan="1">O2—Er1—O4—C16</td><td rowspan="1" colspan="1">106.51 (14)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C8—O2</td><td rowspan="1" colspan="1">−72.31 (17)</td><td rowspan="1" colspan="1">O7—Er1—O4—C16</td><td rowspan="1" colspan="1">−111.83 (14)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—C8—O2</td><td rowspan="1" colspan="1">−177.49 (12)</td><td rowspan="1" colspan="1">O1—Er1—O4—C16</td><td rowspan="1" colspan="1">79.40 (14)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C8—C7</td><td rowspan="1" colspan="1">−72.5 (9)</td><td rowspan="1" colspan="1">N1—Er1—O4—C16</td><td rowspan="1" colspan="1">170.35 (14)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C8—C7</td><td rowspan="1" colspan="1">134.9 (9)</td><td rowspan="1" colspan="1">O8—Er1—O4—C16</td><td rowspan="1" colspan="1">−66.62 (14)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C8—C7</td><td rowspan="1" colspan="1">−151.9 (9)</td><td rowspan="1" colspan="1">C8—Er1—O4—C16</td><td rowspan="1" colspan="1">94.50 (14)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C8—C7</td><td rowspan="1" colspan="1">80.2 (9)</td><td rowspan="1" colspan="1">C24—Er1—O4—C16</td><td rowspan="1" colspan="1">−90.57 (14)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C8—C7</td><td rowspan="1" colspan="1">−75.1 (9)</td><td rowspan="1" colspan="1">O4—C16—O5—Er1</td><td rowspan="1" colspan="1">−9.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C8—C7</td><td rowspan="1" colspan="1">12.3 (10)</td><td rowspan="1" colspan="1">C15—C16—O5—Er1</td><td rowspan="1" colspan="1">168.8 (2)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C8—C7</td><td rowspan="1" colspan="1">114.0 (9)</td><td rowspan="1" colspan="1">O1W—Er1—O5—C16</td><td rowspan="1" colspan="1">151.00 (13)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C8—C7</td><td rowspan="1" colspan="1">5.4 (9)</td><td rowspan="1" colspan="1">O10—Er1—O5—C16</td><td rowspan="1" colspan="1">−168.64 (14)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C8—C7</td><td rowspan="1" colspan="1">−147.4 (8)</td><td rowspan="1" colspan="1">O4—Er1—O5—C16</td><td rowspan="1" colspan="1">5.10 (12)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—C8—C7</td><td rowspan="1" colspan="1">107.4 (9)</td><td rowspan="1" colspan="1">O2—Er1—O5—C16</td><td rowspan="1" colspan="1">−97.44 (13)</td></tr><tr><td rowspan="1" colspan="1">C14—C9—C10—C11</td><td rowspan="1" colspan="1">0.8 (4)</td><td rowspan="1" colspan="1">O7—Er1—O5—C16</td><td rowspan="1" colspan="1">74.54 (13)</td></tr><tr><td rowspan="1" colspan="1">C15—C9—C10—C11</td><td rowspan="1" colspan="1">−179.1 (2)</td><td rowspan="1" colspan="1">O1—Er1—O5—C16</td><td rowspan="1" colspan="1">−72.83 (13)</td></tr><tr><td rowspan="1" colspan="1">C9—C10—C11—C12</td><td rowspan="1" colspan="1">0.2 (4)</td><td rowspan="1" colspan="1">N1—Er1—O5—C16</td><td rowspan="1" colspan="1">−0.62 (16)</td></tr><tr><td rowspan="1" colspan="1">C10—C11—C12—O6</td><td rowspan="1" colspan="1">178.7 (2)</td><td rowspan="1" colspan="1">O8—Er1—O5—C16</td><td rowspan="1" colspan="1">123.19 (13)</td></tr><tr><td rowspan="1" colspan="1">C10—C11—C12—C13</td><td rowspan="1" colspan="1">−0.9 (4)</td><td rowspan="1" colspan="1">C8—Er1—O5—C16</td><td rowspan="1" colspan="1">−82.28 (13)</td></tr><tr><td rowspan="1" colspan="1">O6—C12—C13—C14</td><td rowspan="1" colspan="1">−178.9 (2)</td><td rowspan="1" colspan="1">C24—Er1—O5—C16</td><td rowspan="1" colspan="1">98.90 (13)</td></tr><tr><td rowspan="1" colspan="1">C11—C12—C13—C14</td><td rowspan="1" colspan="1">0.7 (4)</td><td rowspan="1" colspan="1">O8—C24—O7—Er1</td><td rowspan="1" colspan="1">−8.1 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—C13—C14—C9</td><td rowspan="1" colspan="1">0.3 (4)</td><td rowspan="1" colspan="1">C23—C24—O7—Er1</td><td rowspan="1" colspan="1">171.12 (19)</td></tr><tr><td rowspan="1" colspan="1">C10—C9—C14—C13</td><td rowspan="1" colspan="1">−1.0 (4)</td><td rowspan="1" colspan="1">O1W—Er1—O7—C24</td><td rowspan="1" colspan="1">−74.24 (13)</td></tr><tr><td rowspan="1" colspan="1">C15—C9—C14—C13</td><td rowspan="1" colspan="1">178.9 (2)</td><td rowspan="1" colspan="1">O5—Er1—O7—C24</td><td rowspan="1" colspan="1">71.67 (13)</td></tr><tr><td rowspan="1" colspan="1">C10—C9—C15—C16</td><td rowspan="1" colspan="1">−97.4 (3)</td><td rowspan="1" colspan="1">O10—Er1—O7—C24</td><td rowspan="1" colspan="1">−2.58 (15)</td></tr><tr><td rowspan="1" colspan="1">C14—C9—C15—C16</td><td rowspan="1" colspan="1">82.8 (3)</td><td rowspan="1" colspan="1">O4—Er1—O7—C24</td><td rowspan="1" colspan="1">123.36 (14)</td></tr><tr><td rowspan="1" colspan="1">C9—C15—C16—O4</td><td rowspan="1" colspan="1">172.5 (2)</td><td rowspan="1" colspan="1">O2—Er1—O7—C24</td><td rowspan="1" colspan="1">−119.31 (13)</td></tr><tr><td rowspan="1" colspan="1">C9—C15—C16—O5</td><td rowspan="1" colspan="1">−5.5 (4)</td><td rowspan="1" colspan="1">O1—Er1—O7—C24</td><td rowspan="1" colspan="1">143.00 (13)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C16—O4</td><td rowspan="1" colspan="1">92.0 (2)</td><td rowspan="1" colspan="1">N1—Er1—O7—C24</td><td rowspan="1" colspan="1">−157.75 (14)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C16—O4</td><td rowspan="1" colspan="1">170.9 (2)</td><td rowspan="1" colspan="1">O8—Er1—O7—C24</td><td rowspan="1" colspan="1">4.45 (12)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C16—O4</td><td rowspan="1" colspan="1">−178.04 (13)</td><td rowspan="1" colspan="1">C16—Er1—O7—C24</td><td rowspan="1" colspan="1">98.25 (14)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C16—O4</td><td rowspan="1" colspan="1">−88.97 (14)</td><td rowspan="1" colspan="1">C8—Er1—O7—C24</td><td rowspan="1" colspan="1">−164.72 (14)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C16—O4</td><td rowspan="1" colspan="1">64.68 (14)</td><td rowspan="1" colspan="1">O7—C24—O8—Er2</td><td rowspan="1" colspan="1">164.66 (19)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C16—O4</td><td rowspan="1" colspan="1">−90.80 (14)</td><td rowspan="1" colspan="1">C23—C24—O8—Er2</td><td rowspan="1" colspan="1">−14.6 (4)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C16—O4</td><td rowspan="1" colspan="1">−9.61 (14)</td><td rowspan="1" colspan="1">Er1—C24—O8—Er2</td><td rowspan="1" colspan="1">157.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C16—O4</td><td rowspan="1" colspan="1">116.65 (13)</td><td rowspan="1" colspan="1">O7—C24—O8—Er1</td><td rowspan="1" colspan="1">7.6 (2)</td></tr><tr><td rowspan="1" colspan="1">C8—Er1—C16—O4</td><td rowspan="1" colspan="1">−87.67 (14)</td><td rowspan="1" colspan="1">C23—C24—O8—Er1</td><td rowspan="1" colspan="1">−171.6 (2)</td></tr><tr><td rowspan="1" colspan="1">C24—Er1—C16—O4</td><td rowspan="1" colspan="1">90.13 (14)</td><td rowspan="1" colspan="1">O14—Er2—O8—C24</td><td rowspan="1" colspan="1">−82.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C16—O5</td><td rowspan="1" colspan="1">−78.9 (2)</td><td rowspan="1" colspan="1">O2W—Er2—O8—C24</td><td rowspan="1" colspan="1">124.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C16—O5</td><td rowspan="1" colspan="1">11.08 (13)</td><td rowspan="1" colspan="1">O13—Er2—O8—C24</td><td rowspan="1" colspan="1">−73.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C16—O5</td><td rowspan="1" colspan="1">−170.9 (2)</td><td rowspan="1" colspan="1">O16—Er2—O8—C24</td><td rowspan="1" colspan="1">47.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C16—O5</td><td rowspan="1" colspan="1">100.15 (13)</td><td rowspan="1" colspan="1">O17—Er2—O8—C24</td><td rowspan="1" colspan="1">−1.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C16—O5</td><td rowspan="1" colspan="1">−106.19 (13)</td><td rowspan="1" colspan="1">O10—Er2—O8—C24</td><td rowspan="1" colspan="1">−154.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C16—O5</td><td rowspan="1" colspan="1">98.32 (13)</td><td rowspan="1" colspan="1">O11—Er2—O8—C24</td><td rowspan="1" colspan="1">−170.9 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C16—O5</td><td rowspan="1" colspan="1">179.52 (12)</td><td rowspan="1" colspan="1">N3—Er2—O8—C24</td><td rowspan="1" colspan="1">77.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C16—O5</td><td rowspan="1" colspan="1">−54.22 (13)</td><td rowspan="1" colspan="1">C40—Er2—O8—C24</td><td rowspan="1" colspan="1">−77.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—Er1—C16—O5</td><td rowspan="1" colspan="1">101.46 (13)</td><td rowspan="1" colspan="1">C48—Er2—O8—C24</td><td rowspan="1" colspan="1">23.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C24—Er1—C16—O5</td><td rowspan="1" colspan="1">−80.74 (13)</td><td rowspan="1" colspan="1">C32—Er2—O8—C24</td><td rowspan="1" colspan="1">−165.5 (3)</td></tr><tr><td rowspan="1" colspan="1">C22—C17—C18—C19</td><td rowspan="1" colspan="1">0.7 (3)</td><td rowspan="1" colspan="1">O14—Er2—O8—Er1</td><td rowspan="1" colspan="1">71.85 (8)</td></tr><tr><td rowspan="1" colspan="1">C23—C17—C18—C19</td><td rowspan="1" colspan="1">179.3 (2)</td><td rowspan="1" colspan="1">O2W—Er2—O8—Er1</td><td rowspan="1" colspan="1">−80.65 (6)</td></tr><tr><td rowspan="1" colspan="1">C17—C18—C19—C20</td><td rowspan="1" colspan="1">0.1 (4)</td><td rowspan="1" colspan="1">O13—Er2—O8—Er1</td><td rowspan="1" colspan="1">80.95 (6)</td></tr><tr><td rowspan="1" colspan="1">C18—C19—C20—O9</td><td rowspan="1" colspan="1">180.0 (2)</td><td rowspan="1" colspan="1">O16—Er2—O8—Er1</td><td rowspan="1" colspan="1">−157.65 (6)</td></tr><tr><td rowspan="1" colspan="1">C18—C19—C20—C21</td><td rowspan="1" colspan="1">−1.0 (3)</td><td rowspan="1" colspan="1">O17—Er2—O8—Er1</td><td rowspan="1" colspan="1">152.95 (6)</td></tr><tr><td rowspan="1" colspan="1">O9—C20—C21—C22</td><td rowspan="1" colspan="1">−180.0 (2)</td><td rowspan="1" colspan="1">O10—Er2—O8—Er1</td><td rowspan="1" colspan="1">0.20 (4)</td></tr><tr><td rowspan="1" colspan="1">C19—C20—C21—C22</td><td rowspan="1" colspan="1">1.0 (3)</td><td rowspan="1" colspan="1">O11—Er2—O8—Er1</td><td rowspan="1" colspan="1">−16.22 (7)</td></tr><tr><td rowspan="1" colspan="1">C20—C21—C22—C17</td><td rowspan="1" colspan="1">−0.1 (4)</td><td rowspan="1" colspan="1">N3—Er2—O8—Er1</td><td rowspan="1" colspan="1">−127.64 (10)</td></tr><tr><td rowspan="1" colspan="1">C18—C17—C22—C21</td><td rowspan="1" colspan="1">−0.7 (3)</td><td rowspan="1" colspan="1">C40—Er2—O8—Er1</td><td rowspan="1" colspan="1">77.23 (6)</td></tr><tr><td rowspan="1" colspan="1">C23—C17—C22—C21</td><td rowspan="1" colspan="1">−179.3 (2)</td><td rowspan="1" colspan="1">C48—Er2—O8—Er1</td><td rowspan="1" colspan="1">178.52 (6)</td></tr><tr><td rowspan="1" colspan="1">C18—C17—C23—C24</td><td rowspan="1" colspan="1">−78.7 (3)</td><td rowspan="1" colspan="1">C32—Er2—O8—Er1</td><td rowspan="1" colspan="1">−10.77 (6)</td></tr><tr><td rowspan="1" colspan="1">C22—C17—C23—C24</td><td rowspan="1" colspan="1">99.8 (3)</td><td rowspan="1" colspan="1">O1W—Er1—O8—C24</td><td rowspan="1" colspan="1">82.86 (12)</td></tr><tr><td rowspan="1" colspan="1">C17—C23—C24—O7</td><td rowspan="1" colspan="1">−46.4 (3)</td><td rowspan="1" colspan="1">O5—Er1—O8—C24</td><td rowspan="1" colspan="1">−113.04 (12)</td></tr><tr><td rowspan="1" colspan="1">C17—C23—C24—O8</td><td rowspan="1" colspan="1">132.8 (2)</td><td rowspan="1" colspan="1">O10—Er1—O8—C24</td><td rowspan="1" colspan="1">168.79 (13)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C24—O7</td><td rowspan="1" colspan="1">98.98 (14)</td><td rowspan="1" colspan="1">O4—Er1—O8—C24</td><td rowspan="1" colspan="1">−65.39 (12)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C24—O7</td><td rowspan="1" colspan="1">−108.86 (13)</td><td rowspan="1" colspan="1">O2—Er1—O8—C24</td><td rowspan="1" colspan="1">123.93 (12)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C24—O7</td><td rowspan="1" colspan="1">177.70 (13)</td><td rowspan="1" colspan="1">O7—Er1—O8—C24</td><td rowspan="1" colspan="1">−4.33 (11)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C24—O7</td><td rowspan="1" colspan="1">−54.38 (13)</td><td rowspan="1" colspan="1">O1—Er1—O8—C24</td><td rowspan="1" colspan="1">−142.38 (12)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C24—O7</td><td rowspan="1" colspan="1">97.03 (16)</td><td rowspan="1" colspan="1">N1—Er1—O8—C24</td><td rowspan="1" colspan="1">16.75 (13)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C24—O7</td><td rowspan="1" colspan="1">−84.2 (2)</td><td rowspan="1" colspan="1">C16—Er1—O8—C24</td><td rowspan="1" colspan="1">−90.19 (12)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C24—O7</td><td rowspan="1" colspan="1">21.77 (14)</td><td rowspan="1" colspan="1">C8—Er1—O8—C24</td><td rowspan="1" colspan="1">163.83 (14)</td></tr><tr><td rowspan="1" colspan="1">O8—Er1—C24—O7</td><td rowspan="1" colspan="1">−172.1 (2)</td><td rowspan="1" colspan="1">O1W—Er1—O8—Er2</td><td rowspan="1" colspan="1">−86.14 (6)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—C24—O7</td><td rowspan="1" colspan="1">−81.57 (14)</td><td rowspan="1" colspan="1">O5—Er1—O8—Er2</td><td rowspan="1" colspan="1">77.96 (6)</td></tr><tr><td rowspan="1" colspan="1">O1W—Er1—C24—O8</td><td rowspan="1" colspan="1">−88.92 (11)</td><td rowspan="1" colspan="1">O10—Er1—O8—Er2</td><td rowspan="1" colspan="1">−0.21 (5)</td></tr><tr><td rowspan="1" colspan="1">O5—Er1—C24—O8</td><td rowspan="1" colspan="1">63.25 (11)</td><td rowspan="1" colspan="1">O4—Er1—O8—Er2</td><td rowspan="1" colspan="1">125.61 (6)</td></tr><tr><td rowspan="1" colspan="1">O10—Er1—C24—O8</td><td rowspan="1" colspan="1">−10.19 (11)</td><td rowspan="1" colspan="1">O2—Er1—O8—Er2</td><td rowspan="1" colspan="1">−45.07 (9)</td></tr><tr><td rowspan="1" colspan="1">O4—Er1—C24—O8</td><td rowspan="1" colspan="1">117.73 (11)</td><td rowspan="1" colspan="1">O7—Er1—O8—Er2</td><td rowspan="1" colspan="1">−173.33 (9)</td></tr><tr><td rowspan="1" colspan="1">O2—Er1—C24—O8</td><td rowspan="1" colspan="1">−90.86 (14)</td><td rowspan="1" colspan="1">O1—Er1—O8—Er2</td><td rowspan="1" colspan="1">48.62 (11)</td></tr><tr><td rowspan="1" colspan="1">O7—Er1—C24—O8</td><td rowspan="1" colspan="1">172.1 (2)</td><td rowspan="1" colspan="1">N1—Er1—O8—Er2</td><td rowspan="1" colspan="1">−152.25 (6)</td></tr><tr><td rowspan="1" colspan="1">O1—Er1—C24—O8</td><td rowspan="1" colspan="1">87.9 (2)</td><td rowspan="1" colspan="1">C16—Er1—O8—Er2</td><td rowspan="1" colspan="1">100.81 (6)</td></tr><tr><td rowspan="1" colspan="1">N1—Er1—C24—O8</td><td rowspan="1" colspan="1">−166.12 (11)</td><td rowspan="1" colspan="1">C8—Er1—O8—Er2</td><td rowspan="1" colspan="1">−5.17 (15)</td></tr><tr><td rowspan="1" colspan="1">C16—Er1—C24—O8</td><td rowspan="1" colspan="1">90.54 (11)</td><td rowspan="1" colspan="1">C24—Er1—O8—Er2</td><td rowspan="1" colspan="1">−169.00 (14)</td></tr><tr><td rowspan="1" colspan="1">C30—C25—C26—C27</td><td rowspan="1" colspan="1">−0.7 (3)</td><td rowspan="1" colspan="1">O11—C32—O10—Er1</td><td rowspan="1" colspan="1">−151.24 (15)</td></tr><tr><td rowspan="1" colspan="1">C31—C25—C26—C27</td><td rowspan="1" colspan="1">177.9 (2)</td><td rowspan="1" colspan="1">C31—C32—O10—Er1</td><td rowspan="1" colspan="1">28.7 (3)</td></tr><tr><td rowspan="1" colspan="1">C25—C26—C27—C28</td><td rowspan="1" colspan="1">−0.4 (4)</td><td rowspan="1" colspan="1">Er2—C32—O10—Er1</td><td rowspan="1" colspan="1">−139.3 (2)</td></tr><tr><td rowspan="1" colspan="1">C26—C27—C28—O12</td><td rowspan="1" colspan="1">−179.0 (2)</td><td rowspan="1" colspan="1">O11—C32—O10—Er2</td><td rowspan="1" colspan="1">−11.97 (19)</td></tr><tr><td rowspan="1" colspan="1">C26—C27—C28—C29</td><td rowspan="1" colspan="1">1.0 (3)</td><td rowspan="1" colspan="1">C31—C32—O10—Er2</td><td rowspan="1" colspan="1">167.97 (17)</td></tr><tr><td rowspan="1" colspan="1">C27—C28—C29—C30</td><td rowspan="1" colspan="1">−0.4 (3)</td><td rowspan="1" colspan="1">O1W—Er1—O10—C32</td><td rowspan="1" colspan="1">−148.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O12—C28—C29—C30</td><td rowspan="1" colspan="1">179.6 (2)</td><td rowspan="1" colspan="1">O5—Er1—O10—C32</td><td rowspan="1" colspan="1">53.5 (2)</td></tr><tr><td rowspan="1" colspan="1">C26—C25—C30—C29</td><td rowspan="1" colspan="1">1.3 (3)</td><td rowspan="1" colspan="1">O4—Er1—O10—C32</td><td rowspan="1" colspan="1">47.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C31—C25—C30—C29</td><td rowspan="1" colspan="1">−177.3 (2)</td><td rowspan="1" colspan="1">O2—Er1—O10—C32</td><td rowspan="1" colspan="1">−72.9 (2)</td></tr><tr><td rowspan="1" colspan="1">C28—C29—C30—C25</td><td rowspan="1" colspan="1">−0.7 (4)</td><td rowspan="1" colspan="1">O7—Er1—O10—C32</td><td rowspan="1" colspan="1">141.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C30—C25—C31—C32</td><td rowspan="1" colspan="1">75.3 (3)</td><td rowspan="1" colspan="1">O1—Er1—O10—C32</td><td rowspan="1" colspan="1">−20.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C26—C25—C31—C32</td><td rowspan="1" colspan="1">−103.3 (3)</td><td rowspan="1" colspan="1">N1—Er1—O10—C32</td><td rowspan="1" colspan="1">−105.7 (2)</td></tr><tr><td rowspan="1" colspan="1">C25—C31—C32—O11</td><td rowspan="1" colspan="1">12.2 (3)</td><td rowspan="1" colspan="1">O8—Er1—O10—C32</td><td rowspan="1" colspan="1">134.9 (2)</td></tr><tr><td rowspan="1" colspan="1">C25—C31—C32—O10</td><td rowspan="1" colspan="1">−167.75 (19)</td><td rowspan="1" colspan="1">C16—Er1—O10—C32</td><td rowspan="1" colspan="1">48.1 (2)</td></tr><tr><td rowspan="1" colspan="1">C25—C31—C32—Er2</td><td rowspan="1" colspan="1">−93.6 (7)</td><td rowspan="1" colspan="1">C8—Er1—O10—C32</td><td rowspan="1" colspan="1">−47.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C32—O11</td><td rowspan="1" colspan="1">−168.55 (12)</td><td rowspan="1" colspan="1">C24—Er1—O10—C32</td><td rowspan="1" colspan="1">139.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C32—O11</td><td rowspan="1" colspan="1">62.15 (12)</td><td rowspan="1" colspan="1">O1W—Er1—O10—Er2</td><td rowspan="1" colspan="1">76.92 (6)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C32—O11</td><td rowspan="1" colspan="1">−90.84 (12)</td><td rowspan="1" colspan="1">O5—Er1—O10—Er2</td><td rowspan="1" colspan="1">−81.30 (6)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C32—O11</td><td rowspan="1" colspan="1">116.21 (12)</td><td rowspan="1" colspan="1">O4—Er1—O10—Er2</td><td rowspan="1" colspan="1">−87.77 (8)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C32—O11</td><td rowspan="1" colspan="1">−95.36 (14)</td><td rowspan="1" colspan="1">O2—Er1—O10—Er2</td><td rowspan="1" colspan="1">152.40 (6)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C32—O11</td><td rowspan="1" colspan="1">69.6 (2)</td><td rowspan="1" colspan="1">O7—Er1—O10—Er2</td><td rowspan="1" colspan="1">6.29 (8)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C32—O11</td><td rowspan="1" colspan="1">168.01 (19)</td><td rowspan="1" colspan="1">O1—Er1—O10—Er2</td><td rowspan="1" colspan="1">−155.58 (6)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C32—O11</td><td rowspan="1" colspan="1">−12.46 (13)</td><td rowspan="1" colspan="1">N1—Er1—O10—Er2</td><td rowspan="1" colspan="1">119.59 (11)</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—C32—O11</td><td rowspan="1" colspan="1">89.12 (12)</td><td rowspan="1" colspan="1">O8—Er1—O10—Er2</td><td rowspan="1" colspan="1">0.19 (4)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C32—O10</td><td rowspan="1" colspan="1">23.43 (11)</td><td rowspan="1" colspan="1">C16—Er1—O10—Er2</td><td rowspan="1" colspan="1">−86.64 (7)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C32—O10</td><td rowspan="1" colspan="1">−105.86 (11)</td><td rowspan="1" colspan="1">C8—Er1—O10—Er2</td><td rowspan="1" colspan="1">178.08 (6)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C32—O10</td><td rowspan="1" colspan="1">101.15 (11)</td><td rowspan="1" colspan="1">C24—Er1—O10—Er2</td><td rowspan="1" colspan="1">5.17 (6)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C32—O10</td><td rowspan="1" colspan="1">−51.81 (11)</td><td rowspan="1" colspan="1">O8—Er2—O10—C32</td><td rowspan="1" colspan="1">−154.36 (12)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C32—O10</td><td rowspan="1" colspan="1">96.63 (13)</td><td rowspan="1" colspan="1">O14—Er2—O10—C32</td><td rowspan="1" colspan="1">73.09 (11)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C32—O10</td><td rowspan="1" colspan="1">−98.43 (18)</td><td rowspan="1" colspan="1">O2W—Er2—O10—C32</td><td rowspan="1" colspan="1">−71.40 (11)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C32—O10</td><td rowspan="1" colspan="1">−168.01 (19)</td><td rowspan="1" colspan="1">O13—Er2—O10—C32</td><td rowspan="1" colspan="1">125.92 (12)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C32—O10</td><td rowspan="1" colspan="1">179.52 (11)</td><td rowspan="1" colspan="1">O16—Er2—O10—C32</td><td rowspan="1" colspan="1">−118.65 (12)</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—C32—O10</td><td rowspan="1" colspan="1">−78.89 (11)</td><td rowspan="1" colspan="1">O17—Er2—O10—C32</td><td rowspan="1" colspan="1">139.16 (13)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C32—C31</td><td rowspan="1" colspan="1">−56.6 (7)</td><td rowspan="1" colspan="1">O11—Er2—O10—C32</td><td rowspan="1" colspan="1">6.59 (11)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C32—C31</td><td rowspan="1" colspan="1">174.1 (7)</td><td rowspan="1" colspan="1">N3—Er2—O10—C32</td><td rowspan="1" colspan="1">−0.59 (13)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C32—C31</td><td rowspan="1" colspan="1">21.1 (7)</td><td rowspan="1" colspan="1">C40—Er2—O10—C32</td><td rowspan="1" colspan="1">99.09 (11)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C32—C31</td><td rowspan="1" colspan="1">−131.8 (7)</td><td rowspan="1" colspan="1">C48—Er2—O10—C32</td><td rowspan="1" colspan="1">−158.87 (15)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C32—C31</td><td rowspan="1" colspan="1">16.6 (7)</td><td rowspan="1" colspan="1">O8—Er2—O10—Er1</td><td rowspan="1" colspan="1">−0.21 (5)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C32—C31</td><td rowspan="1" colspan="1">−178.5 (6)</td><td rowspan="1" colspan="1">O14—Er2—O10—Er1</td><td rowspan="1" colspan="1">−132.76 (6)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C32—C31</td><td rowspan="1" colspan="1">−80.0 (7)</td><td rowspan="1" colspan="1">O2W—Er2—O10—Er1</td><td rowspan="1" colspan="1">82.75 (6)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C32—C31</td><td rowspan="1" colspan="1">112.0 (7)</td><td rowspan="1" colspan="1">O13—Er2—O10—Er1</td><td rowspan="1" colspan="1">−79.93 (6)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C32—C31</td><td rowspan="1" colspan="1">99.5 (7)</td><td rowspan="1" colspan="1">O16—Er2—O10—Er1</td><td rowspan="1" colspan="1">35.50 (10)</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—C32—C31</td><td rowspan="1" colspan="1">−158.9 (7)</td><td rowspan="1" colspan="1">O17—Er2—O10—Er1</td><td rowspan="1" colspan="1">−66.68 (12)</td></tr><tr><td rowspan="1" colspan="1">C38—C33—C34—C35</td><td rowspan="1" colspan="1">−0.5 (3)</td><td rowspan="1" colspan="1">O11—Er2—O10—Er1</td><td rowspan="1" colspan="1">160.75 (8)</td></tr><tr><td rowspan="1" colspan="1">C39—C33—C34—C35</td><td rowspan="1" colspan="1">178.9 (2)</td><td rowspan="1" colspan="1">N3—Er2—O10—Er1</td><td rowspan="1" colspan="1">153.57 (6)</td></tr><tr><td rowspan="1" colspan="1">C33—C34—C35—C36</td><td rowspan="1" colspan="1">0.5 (3)</td><td rowspan="1" colspan="1">C40—Er2—O10—Er1</td><td rowspan="1" colspan="1">−106.75 (6)</td></tr><tr><td rowspan="1" colspan="1">C34—C35—C36—O15</td><td rowspan="1" colspan="1">179.8 (2)</td><td rowspan="1" colspan="1">C48—Er2—O10—Er1</td><td rowspan="1" colspan="1">−4.71 (17)</td></tr><tr><td rowspan="1" colspan="1">C34—C35—C36—C37</td><td rowspan="1" colspan="1">−0.4 (3)</td><td rowspan="1" colspan="1">C32—Er2—O10—Er1</td><td rowspan="1" colspan="1">154.16 (14)</td></tr><tr><td rowspan="1" colspan="1">O15—C36—C37—C38</td><td rowspan="1" colspan="1">180.0 (2)</td><td rowspan="1" colspan="1">O10—C32—O11—Er2</td><td rowspan="1" colspan="1">11.82 (19)</td></tr><tr><td rowspan="1" colspan="1">C35—C36—C37—C38</td><td rowspan="1" colspan="1">0.2 (3)</td><td rowspan="1" colspan="1">C31—C32—O11—Er2</td><td rowspan="1" colspan="1">−168.11 (19)</td></tr><tr><td rowspan="1" colspan="1">C34—C33—C38—C37</td><td rowspan="1" colspan="1">0.3 (3)</td><td rowspan="1" colspan="1">O8—Er2—O11—C32</td><td rowspan="1" colspan="1">12.71 (13)</td></tr><tr><td rowspan="1" colspan="1">C39—C33—C38—C37</td><td rowspan="1" colspan="1">−179.07 (19)</td><td rowspan="1" colspan="1">O14—Er2—O11—C32</td><td rowspan="1" colspan="1">−113.00 (12)</td></tr><tr><td rowspan="1" colspan="1">C36—C37—C38—C33</td><td rowspan="1" colspan="1">−0.1 (3)</td><td rowspan="1" colspan="1">O2W—Er2—O11—C32</td><td rowspan="1" colspan="1">80.53 (12)</td></tr><tr><td rowspan="1" colspan="1">C38—C33—C39—C40</td><td rowspan="1" colspan="1">−114.8 (2)</td><td rowspan="1" colspan="1">O13—Er2—O11—C32</td><td rowspan="1" colspan="1">−66.79 (12)</td></tr><tr><td rowspan="1" colspan="1">C34—C33—C39—C40</td><td rowspan="1" colspan="1">65.9 (3)</td><td rowspan="1" colspan="1">O16—Er2—O11—C32</td><td rowspan="1" colspan="1">118.93 (12)</td></tr><tr><td rowspan="1" colspan="1">C33—C39—C40—O14</td><td rowspan="1" colspan="1">172.71 (19)</td><td rowspan="1" colspan="1">O17—Er2—O11—C32</td><td rowspan="1" colspan="1">−149.13 (11)</td></tr><tr><td rowspan="1" colspan="1">C33—C39—C40—O13</td><td rowspan="1" colspan="1">−8.9 (3)</td><td rowspan="1" colspan="1">O10—Er2—O11—C32</td><td rowspan="1" colspan="1">−6.71 (11)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C40—O14</td><td rowspan="1" colspan="1">−170.85 (12)</td><td rowspan="1" colspan="1">N3—Er2—O11—C32</td><td rowspan="1" colspan="1">167.40 (13)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C40—O14</td><td rowspan="1" colspan="1">−80.58 (19)</td><td rowspan="1" colspan="1">C40—Er2—O11—C32</td><td rowspan="1" colspan="1">−89.90 (12)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C40—O14</td><td rowspan="1" colspan="1">−178.7 (2)</td><td rowspan="1" colspan="1">C48—Er2—O11—C32</td><td rowspan="1" colspan="1">162.69 (13)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C40—O14</td><td rowspan="1" colspan="1">102.43 (13)</td><td rowspan="1" colspan="1">O14—C40—O13—Er2</td><td rowspan="1" colspan="1">1.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C40—O14</td><td rowspan="1" colspan="1">92.81 (13)</td><td rowspan="1" colspan="1">C39—C40—O13—Er2</td><td rowspan="1" colspan="1">−177.12 (18)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C40—O14</td><td rowspan="1" colspan="1">−106.44 (13)</td><td rowspan="1" colspan="1">O8—Er2—O13—C40</td><td rowspan="1" colspan="1">−172.07 (13)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C40—O14</td><td rowspan="1" colspan="1">−55.10 (13)</td><td rowspan="1" colspan="1">O14—Er2—O13—C40</td><td rowspan="1" colspan="1">−0.73 (11)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C40—O14</td><td rowspan="1" colspan="1">20.19 (13)</td><td rowspan="1" colspan="1">O2W—Er2—O13—C40</td><td rowspan="1" colspan="1">−136.17 (13)</td></tr><tr><td rowspan="1" colspan="1">C48—Er2—C40—O14</td><td rowspan="1" colspan="1">95.32 (13)</td><td rowspan="1" colspan="1">O16—Er2—O13—C40</td><td rowspan="1" colspan="1">117.35 (12)</td></tr><tr><td rowspan="1" colspan="1">C32—Er2—C40—O14</td><td rowspan="1" colspan="1">−80.69 (13)</td><td rowspan="1" colspan="1">O17—Er2—O13—C40</td><td rowspan="1" colspan="1">83.91 (12)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C40—O13</td><td rowspan="1" colspan="1">7.85 (13)</td><td rowspan="1" colspan="1">O10—Er2—O13—C40</td><td rowspan="1" colspan="1">−102.79 (12)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C40—O13</td><td rowspan="1" colspan="1">178.7 (2)</td><td rowspan="1" colspan="1">O11—Er2—O13—C40</td><td rowspan="1" colspan="1">−58.54 (12)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C40—O13</td><td rowspan="1" colspan="1">98.12 (18)</td><td rowspan="1" colspan="1">N3—Er2—O13—C40</td><td rowspan="1" colspan="1">23.50 (15)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C40—O13</td><td rowspan="1" colspan="1">−78.87 (13)</td><td rowspan="1" colspan="1">C48—Er2—O13—C40</td><td rowspan="1" colspan="1">98.51 (13)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C40—O13</td><td rowspan="1" colspan="1">−88.49 (13)</td><td rowspan="1" colspan="1">C32—Er2—O13—C40</td><td rowspan="1" colspan="1">−81.93 (12)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C40—O13</td><td rowspan="1" colspan="1">72.26 (12)</td><td rowspan="1" colspan="1">O13—C40—O14—Er2</td><td rowspan="1" colspan="1">−1.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C40—O13</td><td rowspan="1" colspan="1">123.60 (12)</td><td rowspan="1" colspan="1">C39—C40—O14—Er2</td><td rowspan="1" colspan="1">177.16 (17)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C40—O13</td><td rowspan="1" colspan="1">−161.11 (12)</td><td rowspan="1" colspan="1">O8—Er2—O14—C40</td><td rowspan="1" colspan="1">11.55 (15)</td></tr><tr><td rowspan="1" colspan="1">C48—Er2—C40—O13</td><td rowspan="1" colspan="1">−85.98 (12)</td><td rowspan="1" colspan="1">O2W—Er2—O14—C40</td><td rowspan="1" colspan="1">142.71 (12)</td></tr><tr><td rowspan="1" colspan="1">C32—Er2—C40—O13</td><td rowspan="1" colspan="1">98.01 (12)</td><td rowspan="1" colspan="1">O13—Er2—O14—C40</td><td rowspan="1" colspan="1">0.73 (12)</td></tr><tr><td rowspan="1" colspan="1">C46—C41—C42—C43</td><td rowspan="1" colspan="1">−0.7 (3)</td><td rowspan="1" colspan="1">O16—Er2—O14—C40</td><td rowspan="1" colspan="1">−98.32 (13)</td></tr><tr><td rowspan="1" colspan="1">C47—C41—C42—C43</td><td rowspan="1" colspan="1">177.5 (2)</td><td rowspan="1" colspan="1">O17—Er2—O14—C40</td><td rowspan="1" colspan="1">−80.18 (13)</td></tr><tr><td rowspan="1" colspan="1">C41—C42—C43—C44</td><td rowspan="1" colspan="1">−1.0 (4)</td><td rowspan="1" colspan="1">O10—Er2—O14—C40</td><td rowspan="1" colspan="1">72.32 (13)</td></tr><tr><td rowspan="1" colspan="1">C42—C43—C44—O18</td><td rowspan="1" colspan="1">−178.9 (2)</td><td rowspan="1" colspan="1">O11—Er2—O14—C40</td><td rowspan="1" colspan="1">120.90 (13)</td></tr><tr><td rowspan="1" colspan="1">C42—C43—C44—C45</td><td rowspan="1" colspan="1">1.9 (4)</td><td rowspan="1" colspan="1">N3—Er2—O14—C40</td><td rowspan="1" colspan="1">−159.64 (14)</td></tr><tr><td rowspan="1" colspan="1">O18—C44—C45—C46</td><td rowspan="1" colspan="1">179.6 (2)</td><td rowspan="1" colspan="1">C48—Er2—O14—C40</td><td rowspan="1" colspan="1">−90.23 (13)</td></tr><tr><td rowspan="1" colspan="1">C43—C44—C45—C46</td><td rowspan="1" colspan="1">−1.2 (4)</td><td rowspan="1" colspan="1">C32—Er2—O14—C40</td><td rowspan="1" colspan="1">97.35 (13)</td></tr><tr><td rowspan="1" colspan="1">C42—C41—C46—C45</td><td rowspan="1" colspan="1">1.4 (3)</td><td rowspan="1" colspan="1">O17—C48—O16—Er2</td><td rowspan="1" colspan="1">7.7 (2)</td></tr><tr><td rowspan="1" colspan="1">C47—C41—C46—C45</td><td rowspan="1" colspan="1">−176.8 (2)</td><td rowspan="1" colspan="1">C47—C48—O16—Er2</td><td rowspan="1" colspan="1">−171.02 (16)</td></tr><tr><td rowspan="1" colspan="1">C44—C45—C46—C41</td><td rowspan="1" colspan="1">−0.5 (4)</td><td rowspan="1" colspan="1">O8—Er2—O16—C48</td><td rowspan="1" colspan="1">−114.09 (12)</td></tr><tr><td rowspan="1" colspan="1">C46—C41—C47—C48</td><td rowspan="1" colspan="1">107.5 (3)</td><td rowspan="1" colspan="1">O14—Er2—O16—C48</td><td rowspan="1" colspan="1">18.12 (14)</td></tr><tr><td rowspan="1" colspan="1">C42—C41—C47—C48</td><td rowspan="1" colspan="1">−70.6 (3)</td><td rowspan="1" colspan="1">O2W—Er2—O16—C48</td><td rowspan="1" colspan="1">165.19 (12)</td></tr><tr><td rowspan="1" colspan="1">C41—C47—C48—O16</td><td rowspan="1" colspan="1">58.9 (3)</td><td rowspan="1" colspan="1">O13—Er2—O16—C48</td><td rowspan="1" colspan="1">−46.34 (13)</td></tr><tr><td rowspan="1" colspan="1">C41—C47—C48—O17</td><td rowspan="1" colspan="1">−119.8 (2)</td><td rowspan="1" colspan="1">O17—Er2—O16—C48</td><td rowspan="1" colspan="1">−4.30 (11)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C48—O16</td><td rowspan="1" colspan="1">64.11 (12)</td><td rowspan="1" colspan="1">O10—Er2—O16—C48</td><td rowspan="1" colspan="1">−147.09 (11)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C48—O16</td><td rowspan="1" colspan="1">−165.33 (11)</td><td rowspan="1" colspan="1">O11—Er2—O16—C48</td><td rowspan="1" colspan="1">127.40 (12)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C48—O16</td><td rowspan="1" colspan="1">−14.59 (12)</td><td rowspan="1" colspan="1">N3—Er2—O16—C48</td><td rowspan="1" colspan="1">79.14 (12)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C48—O16</td><td rowspan="1" colspan="1">139.39 (11)</td><td rowspan="1" colspan="1">C40—Er2—O16—C48</td><td rowspan="1" colspan="1">−15.95 (14)</td></tr><tr><td rowspan="1" colspan="1">O17—Er2—C48—O16</td><td rowspan="1" colspan="1">172.3 (2)</td><td rowspan="1" colspan="1">C32—Er2—O16—C48</td><td rowspan="1" colspan="1">169.60 (11)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C48—O16</td><td rowspan="1" colspan="1">68.25 (19)</td><td rowspan="1" colspan="1">O16—C48—O17—Er2</td><td rowspan="1" colspan="1">−7.41 (19)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C48—O16</td><td rowspan="1" colspan="1">−89.06 (16)</td><td rowspan="1" colspan="1">C47—C48—O17—Er2</td><td rowspan="1" colspan="1">171.30 (17)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C48—O16</td><td rowspan="1" colspan="1">−93.83 (12)</td><td rowspan="1" colspan="1">O8—Er2—O17—C48</td><td rowspan="1" colspan="1">74.20 (12)</td></tr><tr><td rowspan="1" colspan="1">C40—Er2—C48—O16</td><td rowspan="1" colspan="1">166.95 (11)</td><td rowspan="1" colspan="1">O14—Er2—O17—C48</td><td rowspan="1" colspan="1">−157.61 (13)</td></tr><tr><td rowspan="1" colspan="1">O8—Er2—C48—O17</td><td rowspan="1" colspan="1">−108.23 (12)</td><td rowspan="1" colspan="1">O2W—Er2—O17—C48</td><td rowspan="1" colspan="1">−8.57 (15)</td></tr><tr><td rowspan="1" colspan="1">O14—Er2—C48—O17</td><td rowspan="1" colspan="1">22.32 (13)</td><td rowspan="1" colspan="1">O13—Er2—O17—C48</td><td rowspan="1" colspan="1">146.13 (13)</td></tr><tr><td rowspan="1" colspan="1">O2W—Er2—C48—O17</td><td rowspan="1" colspan="1">173.07 (12)</td><td rowspan="1" colspan="1">O16—Er2—O17—C48</td><td rowspan="1" colspan="1">4.25 (11)</td></tr><tr><td rowspan="1" colspan="1">O13—Er2—C48—O17</td><td rowspan="1" colspan="1">−32.95 (13)</td><td rowspan="1" colspan="1">O10—Er2—O17—C48</td><td rowspan="1" colspan="1">132.86 (12)</td></tr><tr><td rowspan="1" colspan="1">O16—Er2—C48—O17</td><td rowspan="1" colspan="1">−172.3 (2)</td><td rowspan="1" colspan="1">O11—Er2—O17—C48</td><td rowspan="1" colspan="1">−122.34 (13)</td></tr><tr><td rowspan="1" colspan="1">O10—Er2—C48—O17</td><td rowspan="1" colspan="1">−104.09 (18)</td><td rowspan="1" colspan="1">N3—Er2—O17—C48</td><td rowspan="1" colspan="1">−79.06 (12)</td></tr><tr><td rowspan="1" colspan="1">O11—Er2—C48—O17</td><td rowspan="1" colspan="1">98.60 (15)</td><td rowspan="1" colspan="1">C40—Er2—O17—C48</td><td rowspan="1" colspan="1">174.49 (13)</td></tr><tr><td rowspan="1" colspan="1">N3—Er2—C48—O17</td><td rowspan="1" colspan="1">93.83 (13)</td><td rowspan="1" colspan="1">C32—Er2—O17—C48</td><td rowspan="1" colspan="1">−165.18 (15)</td></tr></table></table-wrap></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, °)</title><table-wrap position="anchor" id="d1e10353"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="5"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H</td><td rowspan="1" colspan="1">H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td></tr><tr><td rowspan="1" colspan="1">O3—H3B···O12<sup>i</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.93</td><td rowspan="1" colspan="1">2.742 (3)</td><td rowspan="1" colspan="1">169</td></tr><tr><td rowspan="1" colspan="1">O6—H6B···O3W<sup>ii</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.86</td><td rowspan="1" colspan="1">2.650 (3)</td><td rowspan="1" colspan="1">160</td></tr><tr><td rowspan="1" colspan="1">O9—H9A···O17<sup>iii</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.86</td><td rowspan="1" colspan="1">2.674 (2)</td><td rowspan="1" colspan="1">173</td></tr><tr><td rowspan="1" colspan="1">O12—H12···O11<sup>iv</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.94</td><td rowspan="1" colspan="1">2.751 (2)</td><td rowspan="1" colspan="1">168</td></tr><tr><td rowspan="1" colspan="1">O15—H15C···O6<sup>v</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.90</td><td rowspan="1" colspan="1">2.716 (3)</td><td rowspan="1" colspan="1">174</td></tr><tr><td rowspan="1" colspan="1">O18—H18B···O9<sup>ii</sup></td><td rowspan="1" colspan="1">0.82</td><td rowspan="1" colspan="1">1.95</td><td rowspan="1" colspan="1">2.768 (3)</td><td rowspan="1" colspan="1">174</td></tr><tr><td rowspan="1" colspan="1">O2W—H2WA···O5</td><td rowspan="1" colspan="1">0.83 (4)</td><td rowspan="1" colspan="1">1.97 (2)</td><td rowspan="1" colspan="1">2.732 (2)</td><td rowspan="1" colspan="1">151 (3)</td></tr><tr><td rowspan="1" colspan="1">O2W—H2WB···N2<sup>ii</sup></td><td rowspan="1" colspan="1">0.81 (2)</td><td rowspan="1" colspan="1">2.06 (2)</td><td rowspan="1" colspan="1">2.839 (2)</td><td rowspan="1" colspan="1">162 (4)</td></tr><tr><td rowspan="1" colspan="1">O3W—H3WB···O3</td><td rowspan="1" colspan="1">0.82 (4)</td><td rowspan="1" colspan="1">1.99 (4)</td><td rowspan="1" colspan="1">2.793 (3)</td><td rowspan="1" colspan="1">167 (4)</td></tr><tr><td rowspan="1" colspan="1">O1W—H1WA···O13</td><td rowspan="1" colspan="1">0.83 (4)</td><td rowspan="1" colspan="1">1.96 (2)</td><td rowspan="1" colspan="1">2.7333 (19)</td><td rowspan="1" colspan="1">156 (3)</td></tr><tr><td rowspan="1" colspan="1">O1W—H1WB···N4<sup>i</sup></td><td rowspan="1" colspan="1">0.83 (2)</td><td rowspan="1" colspan="1">1.96 (2)</td><td rowspan="1" colspan="1">2.781 (2)</td><td rowspan="1" colspan="1">171 (3)</td></tr><tr><td rowspan="1" colspan="1">O3W—H3WA···O1<sup>vi</sup></td><td rowspan="1" colspan="1">0.84 (4)</td><td rowspan="1" colspan="1">1.94 (2)</td><td rowspan="1" colspan="1">2.778 (3)</td><td rowspan="1" colspan="1">176 (4)</td></tr></table></table-wrap><p>Symmetry codes: (i) <italic>x</italic>, <italic>y</italic>+1, <italic>z</italic>; (ii) <italic>x</italic>, <italic>y</italic>−1, <italic>z</italic>; (iii) −<italic>x</italic>, −<italic>y</italic>+1, −<italic>z</italic>; (iv) −<italic>x</italic>, −<italic>y</italic>, −<italic>z</italic>+1; (v) <italic>x</italic>−1, <italic>y</italic>+1, <italic>z</italic>; (vi) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+1.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Bruker (2006). <italic>APEX2</italic> and <italic>SAINT</italic> Bruker AXS Inc., Madison, Wisconsin, USA.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Liu, J.-L., Li, H.-Q. & Zhao, G.-L. (2010). <italic>Acta Cryst.</italic> E<bold>66</bold>, m9.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Sheldrick, G. M. (1996). <italic>SADABS</italic> University of Göttingen, Germany.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref></ref-list></back><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Hydrogen-bond geometry (Å, °)</title></caption><table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th></tr></thead><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O3—H3<italic>B</italic>⋯O12<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.742 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">169</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O6—H6<italic>B</italic>⋯O3<italic>W</italic><sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.650 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">160</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O9—H9<italic>A</italic>⋯O17<sup>iii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.674 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">173</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O12—H12⋯O11<sup>iv</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.94</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.751 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">168</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O15—H15<italic>C</italic>⋯O6<sup>v</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.90</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.716 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">174</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O18—H18<italic>B</italic>⋯O9<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.95</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.768 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">174</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>—H2<italic>WA</italic>⋯O5</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.83 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.97 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.732 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">151 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O2<italic>W</italic>—H2<italic>WB</italic>⋯N2<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.81 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.06 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.839 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">162 (4)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O3<italic>W</italic>—H3<italic>WB</italic>⋯O3</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.82 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.99 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.793 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">167 (4)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O1<italic>W</italic>—H1<italic>WA</italic>⋯O13</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.83 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.96 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.7333 (19)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">156 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O1<italic>W</italic>—H1<italic>WB</italic>⋯N4<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.83 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.96 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.781 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">171 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O3<italic>W</italic>—H3<italic>WA</italic>⋯O1<sup>vi</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.84 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.94 (2)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.778 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">176 (4)</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-66-m1513-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-66-m1513-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-66-m1513-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iv) <inline-formula><inline-graphic xlink:href="e-66-m1513-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (v) <inline-formula><inline-graphic xlink:href="e-66-m1513-efi6.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (vi) <inline-formula><inline-graphic xlink:href="e-66-m1513-efi7.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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