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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Tetrakis(μ<sub>2</sub>-3,4-dimethoxyphenylacetato)-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>′;κ<sup>2</sup><italic>O</italic>:<italic>O</italic>′;κ<sup>2</sup><italic>O</italic>:<italic>O</italic>′-bis[(3,4-dimethoxyphenylacetato-κ<sup>2</sup><italic>O</italic>,<italic>O</italic>′)(1,10-phenanthroline-κ<sup>2</sup><italic>N</italic>,<italic>N</italic>)thulium(III)]</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">Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People’s Republic of China, and College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang,<country>People’s Republic of China</country></nlm:aff></affiliation></author><author><name sortKey="Li, Hua Qiong" sort="Li, Hua Qiong" uniqKey="Li H" first="Hua-Qiong" last="Li">Hua-Qiong Li</name><affiliation><nlm:aff id="a">Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People’s Republic of China, and College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang,<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">Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People’s Republic of China, and College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang,<country>People’s Republic of China</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21579980</idno><idno type="pmc">2979998</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979998</idno><idno type="RBID">PMC:2979998</idno><idno type="doi">10.1107/S1600536809051435</idno><date when="2009">2009</date><idno type="wicri:Area/Pmc/Corpus">000346</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000346</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Tetrakis(μ<sub>2</sub>-3,4-dimethoxyphenylacetato)-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>′;κ<sup>2</sup><italic>O</italic>:<italic>O</italic>′;κ<sup>2</sup><italic>O</italic>:<italic>O</italic>′-bis[(3,4-dimethoxyphenylacetato-κ<sup>2</sup><italic>O</italic>,<italic>O</italic>′)(1,10-phenanthroline-κ<sup>2</sup><italic>N</italic>,<italic>N</italic>)thulium(III)]</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">Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People’s Republic of China, and College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang,<country>People’s Republic of China</country></nlm:aff></affiliation></author><author><name sortKey="Li, Hua Qiong" sort="Li, Hua Qiong" uniqKey="Li H" first="Hua-Qiong" last="Li">Hua-Qiong Li</name><affiliation><nlm:aff id="a">Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People’s Republic of China, and College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang,<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">Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People’s Republic of China, and College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang,<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="2009">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title centrosymmetric dinuclear complex, [Tm<sub>2</sub>(C<sub>10</sub>H<sub>11</sub>O<sub>4</sub>)<sub>6</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>], the unique Tm<sup>III</sup> ion is coordinated by five 3,4-dimethoxyphenylacetate (DMPA) ligands and and a bis-chelating 1,10-phenanthroline (phen) ligand <italic>via</italic> seven O atoms and two N atoms, forming a distorted tricapped trigonal-prismatic environment. The DMPA ligands coordinate in the bis-chelate, bridging and bridging tridentate modes.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><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">21579980</article-id><article-id pub-id-type="pmc">2979998</article-id><article-id pub-id-type="publisher-id">lh2956</article-id><article-id pub-id-type="doi">10.1107/S1600536809051435</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536809051435</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>Tetrakis(μ<sub>2</sub>-3,4-dimethoxyphenylacetato)-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>′;κ<sup>2</sup><italic>O</italic>:<italic>O</italic>′;κ<sup>2</sup><italic>O</italic>:<italic>O</italic>′-bis[(3,4-dimethoxyphenylacetato-κ<sup>2</sup><italic>O</italic>,<italic>O</italic>′)(1,10-phenanthroline-κ<sup>2</sup><italic>N</italic>,<italic>N</italic>)thulium(III)]</article-title><alt-title><italic>[Tm<sub>2</sub>(C<sub>10</sub>H<sub>11</sub>O<sub>4</sub>)<sub>6</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>]</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>Li</surname><given-names>Hua-Qiong</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>Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People’s Republic of China, and College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang,<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>1</month><year>2010</year></pub-date><pub-date pub-type="epub"><day>04</day><month>12</month><year>2009</year></pub-date><pub-date pub-type="pmc-release"><day>04</day><month>12</month><year>2009</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>66</volume><issue>Pt 1</issue><issue-id pub-id-type="publisher-id">e100100</issue-id><fpage>m9</fpage><lpage>m9</lpage><history><date date-type="received"><day>13</day><month>11</month><year>2009</year></date><date date-type="accepted"><day>29</day><month>11</month><year>2009</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/S1600536809051435">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title centrosymmetric dinuclear complex, [Tm<sub>2</sub>(C<sub>10</sub>H<sub>11</sub>O<sub>4</sub>)<sub>6</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>], the unique Tm<sup>III</sup> ion is coordinated by five 3,4-dimethoxyphenylacetate (DMPA) ligands and and a bis-chelating 1,10-phenanthroline (phen) ligand <italic>via</italic> seven O atoms and two N atoms, forming a distorted tricapped trigonal-prismatic environment. The DMPA ligands coordinate in the bis-chelate, bridging and bridging tridentate modes.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature</title><p>For background to the importance of coordination in magnetism, see: Yao <italic>et al.</italic> (2008<xref ref-type="bibr" rid="bb10"> ▶</xref>); Fang & Zhang (2006<xref ref-type="bibr" rid="bb3"> ▶</xref>); Li <italic>et al.</italic> 2008<xref ref-type="bibr" rid="bb4"> ▶</xref>); Wang & Sevov (2008<xref ref-type="bibr" rid="bb9"> ▶</xref>). For a related structure, see: Wang <italic>et al.</italic> (2008<xref ref-type="bibr" rid="bb8"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-66-000m9-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>[Tm<sub>2</sub>(C<sub>10</sub>H<sub>11</sub>O<sub>4</sub>)<sub>6</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>]</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 1869.40</p></list-item><list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-66-000m9-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 12.3025 (1) Å</p></list-item><list-item><p><italic>b</italic> = 12.3483 (2) Å</p></list-item><list-item><p><italic>c</italic> = 14.5883 (2) Å</p></list-item><list-item><p>α = 91.457 (1)°</p></list-item><list-item><p>β = 103.403 (1)°</p></list-item><list-item><p>γ = 114.406 (1)°</p></list-item><list-item><p><italic>V</italic> = 1944.71 (4) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 1</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 2.35 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 296 K</p></list-item><list-item><p>0.35 × 0.11 × 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 SMART APEX diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>SADABS</italic>; Sheldrick, 1996<xref ref-type="bibr" rid="bb5"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.747, <italic>T</italic><sub>max</sub> = 0.798</p></list-item><list-item><p>32353 measured reflections</p></list-item><list-item><p>6861 independent reflections</p></list-item><list-item><p>5961 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.038</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>)] = 0.025</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.058</p></list-item><list-item><p><italic>S</italic> = 1.03</p></list-item><list-item><p>6861 reflections</p></list-item><list-item><p>514 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.64 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.32 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e467"><title></title><p>Data collection: <italic>SMART</italic> (Bruker, 1997<xref ref-type="bibr" rid="bb1"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 1999<xref ref-type="bibr" rid="bb2"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>SHELXS97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb6"> ▶</xref>); molecular graphics: <italic>PLATON</italic> (Spek, 2009<xref ref-type="bibr" rid="bb7"> ▶</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-66-000m9-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/S1600536809051435/lh2956sup1.cif">10.1107/S1600536809051435/lh2956sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-66-000m9-sup1.cif" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material content-type="local-data" xlink:href="e-66-000m9-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/S1600536809051435/lh2956Isup2.hkl">10.1107/S1600536809051435/lh2956Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-66-000m9-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?lh2956&file=lh2956sup0.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?lh2956sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?lh2956&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?lh2956">LH2956</ext-link>).</p></fn></fn-group><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>In recently years, there has been an increasing interest in coordination
chemistry due to the increased recognition of of it's importance in magnetism
(Yao, <italic>et al.</italic>, 2008; Fang, <italic>et al.</italic>, 2006; Wang,
<italic>et al.</italic>,
2008) and this has attracted our interest (Li, <italic>et al.</italic>,
2008).
Here we report the crystal structure of a new thulium(III) complex with the
ligand 3,4-dimethoxyphenylacetate. In the title dinuclear complex (I),
the unique Tm<sup>III</sup> ion is coordinated by five DMPA ligands and a
phen ligand via seven O atoms and two N atoms (see, Fig. 1). The Tm<sup>III</sup>ion is in a distorted tricapped trigonal prismatic environment.
The DMPA ligands coordinate in the bis-chelate, bridging and
bridging tridentate modes.</p></sec><sec id="experimental"><title>Experimental </title><p>All reagents and solvents were commercially available quality and without
purified before using. The title compound was obtained by adding Tm<sub>2</sub>O<sub>3</sub>(0.5 mmol), homoveratric acid (3 mmol) phen (1 mmol) dissolved in 30 ml water,
sealed in a 50 ml stainless steel reactor and kept three days at temperature
of 433 K. Then, the reactor was cooled to room temperature at a speed of 5
degrees per hour. Filtrate the solution, washing deposition with ethanol, then
colorless histogram crystals can be attained.</p></sec><sec id="refinement"><title>Refinement </title><p>The H atoms bonded to C atoms were positioned geometrically and refined using a
riding-model approximation with C—H distances of 0.96 and 0.93 Å for
aliphatic and aromatic C atoms, respectively, and <italic>U</italic><sub>iso</sub>(H) =
1.2<italic>U</italic><sub>eq</sub>(C) or 1.5<italic>U</italic><sub>eq</sub>(<italic>C</italic><sub>methyl</sub>).</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>The molecular structure of the title complex. Displacement ellipsoids are drawn at the 30% probability level. Unlabeled atoms are related by the symmetry operator (-x, -y, -z).</p></caption><graphic xlink:href="e-66-000m9-fig1"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e134"><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">[Tm<sub>2</sub>(C<sub>10</sub>H<sub>11</sub>O<sub>4</sub>)<sub>6</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>]</td><td rowspan="1" colspan="1"><italic>Z</italic> = 1</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 1869.40</td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 944</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> = 1.596 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> = 12.3025 (1) Å</td><td rowspan="1" colspan="1">Cell parameters from 8597 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 12.3483 (2) Å</td><td rowspan="1" colspan="1">θ = 2.1–27.6°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 14.5883 (2) Å</td><td rowspan="1" colspan="1">µ = 2.35 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">α = 91.457 (1)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 296 K</td></tr><tr><td rowspan="1" colspan="1">β = 103.403 (1)°</td><td rowspan="1" colspan="1">Block, colourless</td></tr><tr><td rowspan="1" colspan="1">γ = 114.406 (1)°</td><td rowspan="1" colspan="1">0.35 × 0.11 × 0.10 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 1944.71 (4) 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="d1e287"><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 SMART APEX diffractometer</td><td rowspan="1" colspan="1">6861 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1">5961 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> = 0.038</td></tr><tr><td rowspan="1" colspan="1">ω scans</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 25.0°, θ<sub>min</sub> = 2.1°</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> = −14→14</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.747, <italic>T</italic><sub>max</sub> = 0.798</td><td rowspan="1" colspan="1"><italic>k</italic> = −14→14</td></tr><tr><td rowspan="1" colspan="1">32353 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −17→17</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e401"><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>)] = 0.025</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>) = 0.058</td><td rowspan="1" colspan="1">H-atom parameters constrained</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>) + (0.0303<italic>P</italic>)<sup>2</sup> + 0.071<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">6861 reflections</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.004</td></tr><tr><td rowspan="1" colspan="1">514 parameters</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.64 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">0 restraints</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.32 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="d1e558"><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="d1e657"><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">Tm1</td><td rowspan="1" colspan="1">0.175028 (11)</td><td rowspan="1" colspan="1">0.102013 (13)</td><td rowspan="1" colspan="1">0.030650 (9)</td><td rowspan="1" colspan="1">0.04097 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.3561 (2)</td><td rowspan="1" colspan="1">0.1554 (2)</td><td rowspan="1" colspan="1">0.18114 (19)</td><td rowspan="1" colspan="1">0.0465 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.3698 (2)</td><td rowspan="1" colspan="1">−0.4441 (2)</td><td rowspan="1" colspan="1">0.30577 (16)</td><td rowspan="1" colspan="1">0.0521 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.3391 (4)</td><td rowspan="1" colspan="1">−0.5686 (3)</td><td rowspan="1" colspan="1">0.2846 (3)</td><td rowspan="1" colspan="1">0.0632 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1A</td><td rowspan="1" colspan="1">0.3974</td><td rowspan="1" colspan="1">−0.5884</td><td rowspan="1" colspan="1">0.3283</td><td rowspan="1" colspan="1">0.095*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1B</td><td rowspan="1" colspan="1">0.3422</td><td rowspan="1" colspan="1">−0.5848</td><td rowspan="1" colspan="1">0.2208</td><td rowspan="1" colspan="1">0.095*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1C</td><td rowspan="1" colspan="1">0.2572</td><td rowspan="1" colspan="1">−0.6161</td><td rowspan="1" colspan="1">0.2905</td><td rowspan="1" colspan="1">0.095*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.3894 (2)</td><td rowspan="1" colspan="1">−0.2368 (2)</td><td rowspan="1" colspan="1">0.36761 (18)</td><td rowspan="1" colspan="1">0.0685 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.3785 (2)</td><td rowspan="1" colspan="1">0.1373 (2)</td><td rowspan="1" colspan="1">0.0008 (2)</td><td rowspan="1" colspan="1">0.0496 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.2942 (3)</td><td rowspan="1" colspan="1">−0.4026 (3)</td><td rowspan="1" colspan="1">0.2490 (2)</td><td rowspan="1" colspan="1">0.0413 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.01233 (18)</td><td rowspan="1" colspan="1">−0.0982 (2)</td><td rowspan="1" colspan="1">0.04225 (14)</td><td rowspan="1" colspan="1">0.0462 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.2150 (3)</td><td rowspan="1" colspan="1">−0.4601 (3)</td><td rowspan="1" colspan="1">0.1623 (2)</td><td rowspan="1" colspan="1">0.0512 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3A</td><td rowspan="1" colspan="1">0.2115</td><td rowspan="1" colspan="1">−0.5318</td><td rowspan="1" colspan="1">0.1373</td><td rowspan="1" colspan="1">0.061*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.20449 (19)</td><td rowspan="1" colspan="1">−0.0728 (2)</td><td rowspan="1" colspan="1">0.08331 (16)</td><td rowspan="1" colspan="1">0.0487 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.1394 (3)</td><td rowspan="1" colspan="1">−0.4117 (3)</td><td rowspan="1" colspan="1">0.1114 (3)</td><td rowspan="1" colspan="1">0.0581 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4A</td><td rowspan="1" colspan="1">0.0872</td><td rowspan="1" colspan="1">−0.4512</td><td rowspan="1" colspan="1">0.0519</td><td rowspan="1" colspan="1">0.070*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.2337 (3)</td><td rowspan="1" colspan="1">0.5128 (3)</td><td rowspan="1" colspan="1">−0.43218 (19)</td><td rowspan="1" colspan="1">0.0821 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.1398 (3)</td><td rowspan="1" colspan="1">−0.3071 (3)</td><td rowspan="1" colspan="1">0.1466 (2)</td><td rowspan="1" colspan="1">0.0460 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.2248 (3)</td><td rowspan="1" colspan="1">−0.2465 (3)</td><td rowspan="1" colspan="1">0.2326 (2)</td><td rowspan="1" colspan="1">0.0451 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6A</td><td rowspan="1" colspan="1">0.2297</td><td rowspan="1" colspan="1">−0.1737</td><td rowspan="1" colspan="1">0.2565</td><td rowspan="1" colspan="1">0.054*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.1019 (2)</td><td rowspan="1" colspan="1">0.5544 (3)</td><td rowspan="1" colspan="1">−0.3365 (2)</td><td rowspan="1" colspan="1">0.0800 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.21737 (19)</td><td rowspan="1" colspan="1">0.2421 (2)</td><td rowspan="1" colspan="1">−0.08600 (15)</td><td rowspan="1" colspan="1">0.0469 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.3022 (3)</td><td rowspan="1" colspan="1">−0.2915 (3)</td><td rowspan="1" colspan="1">0.2833 (2)</td><td rowspan="1" colspan="1">0.0435 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.2591 (2)</td><td rowspan="1" colspan="1">0.3120 (2)</td><td rowspan="1" colspan="1">0.06308 (15)</td><td rowspan="1" colspan="1">0.0555 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.4180 (4)</td><td rowspan="1" colspan="1">−0.1159 (4)</td><td rowspan="1" colspan="1">0.3958 (3)</td><td rowspan="1" colspan="1">0.0852 (14)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8A</td><td rowspan="1" colspan="1">0.4800</td><td rowspan="1" colspan="1">−0.0874</td><td rowspan="1" colspan="1">0.4556</td><td rowspan="1" colspan="1">0.128*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8B</td><td rowspan="1" colspan="1">0.3447</td><td rowspan="1" colspan="1">−0.1099</td><td rowspan="1" colspan="1">0.4022</td><td rowspan="1" colspan="1">0.128*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8C</td><td rowspan="1" colspan="1">0.4488</td><td rowspan="1" colspan="1">−0.0682</td><td rowspan="1" colspan="1">0.3486</td><td rowspan="1" colspan="1">0.128*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.0460 (3)</td><td rowspan="1" colspan="1">−0.2642 (3)</td><td rowspan="1" colspan="1">0.0961 (3)</td><td rowspan="1" colspan="1">0.0550 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9A</td><td rowspan="1" colspan="1">−0.0017</td><td rowspan="1" colspan="1">−0.3175</td><td rowspan="1" colspan="1">0.0369</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9B</td><td rowspan="1" colspan="1">−0.0107</td><td rowspan="1" colspan="1">−0.2735</td><td rowspan="1" colspan="1">0.1349</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">−0.2502 (3)</td><td rowspan="1" colspan="1">−0.0455 (3)</td><td rowspan="1" colspan="1">−0.5655 (2)</td><td rowspan="1" colspan="1">0.0980 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.0931 (3)</td><td rowspan="1" colspan="1">−0.1378 (3)</td><td rowspan="1" colspan="1">0.0735 (2)</td><td rowspan="1" colspan="1">0.0416 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">−0.1572 (3)</td><td rowspan="1" colspan="1">0.1810 (3)</td><td rowspan="1" colspan="1">−0.5085 (2)</td><td rowspan="1" colspan="1">0.0848 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O11</td><td rowspan="1" colspan="1">0.11190 (19)</td><td rowspan="1" colspan="1">−0.0205 (2)</td><td rowspan="1" colspan="1">−0.11245 (15)</td><td rowspan="1" colspan="1">0.0470 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.3103 (5)</td><td rowspan="1" colspan="1">0.5021 (5)</td><td rowspan="1" colspan="1">−0.4862 (3)</td><td rowspan="1" colspan="1">0.1033 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H11C</td><td rowspan="1" colspan="1">0.2831</td><td rowspan="1" colspan="1">0.5165</td><td rowspan="1" colspan="1">−0.5499</td><td rowspan="1" colspan="1">0.155*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H11D</td><td rowspan="1" colspan="1">0.3060</td><td rowspan="1" colspan="1">0.4226</td><td rowspan="1" colspan="1">−0.4875</td><td rowspan="1" colspan="1">0.155*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H11A</td><td rowspan="1" colspan="1">0.3942</td><td rowspan="1" colspan="1">0.5598</td><td rowspan="1" colspan="1">−0.4581</td><td rowspan="1" colspan="1">0.155*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.2587 (3)</td><td rowspan="1" colspan="1">0.4949 (3)</td><td rowspan="1" colspan="1">−0.3385 (2)</td><td rowspan="1" colspan="1">0.0576 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">−0.09479 (19)</td><td rowspan="1" colspan="1">−0.1233 (2)</td><td rowspan="1" colspan="1">−0.15456 (15)</td><td rowspan="1" colspan="1">0.0523 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.3461 (3)</td><td rowspan="1" colspan="1">0.4592 (3)</td><td rowspan="1" colspan="1">−0.2948 (3)</td><td rowspan="1" colspan="1">0.0625 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13A</td><td rowspan="1" colspan="1">0.3935</td><td rowspan="1" colspan="1">0.4427</td><td rowspan="1" colspan="1">−0.3294</td><td rowspan="1" colspan="1">0.075*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.3652 (3)</td><td rowspan="1" colspan="1">0.4470 (3)</td><td rowspan="1" colspan="1">−0.1987 (3)</td><td rowspan="1" colspan="1">0.0633 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14A</td><td rowspan="1" colspan="1">0.4253</td><td rowspan="1" colspan="1">0.4227</td><td rowspan="1" colspan="1">−0.1693</td><td rowspan="1" colspan="1">0.076*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.2951 (3)</td><td rowspan="1" colspan="1">0.4710 (3)</td><td rowspan="1" colspan="1">−0.1466 (2)</td><td rowspan="1" colspan="1">0.0534 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.2053 (3)</td><td rowspan="1" colspan="1">0.5051 (3)</td><td rowspan="1" colspan="1">−0.1922 (3)</td><td rowspan="1" colspan="1">0.0569 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H16A</td><td rowspan="1" colspan="1">0.1564</td><td rowspan="1" colspan="1">0.5194</td><td rowspan="1" colspan="1">−0.1580</td><td rowspan="1" colspan="1">0.068*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.1865 (3)</td><td rowspan="1" colspan="1">0.5185 (3)</td><td rowspan="1" colspan="1">−0.2867 (3)</td><td rowspan="1" colspan="1">0.0564 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.0160 (4)</td><td rowspan="1" colspan="1">0.5660 (4)</td><td rowspan="1" colspan="1">−0.2907 (4)</td><td rowspan="1" colspan="1">0.0914 (14)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18A</td><td rowspan="1" colspan="1">−0.0379</td><td rowspan="1" colspan="1">0.5918</td><td rowspan="1" colspan="1">−0.3334</td><td rowspan="1" colspan="1">0.137*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18B</td><td rowspan="1" colspan="1">0.0602</td><td rowspan="1" colspan="1">0.6242</td><td rowspan="1" colspan="1">−0.2347</td><td rowspan="1" colspan="1">0.137*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18C</td><td rowspan="1" colspan="1">−0.0322</td><td rowspan="1" colspan="1">0.4899</td><td rowspan="1" colspan="1">−0.2733</td><td rowspan="1" colspan="1">0.137*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.3135 (4)</td><td rowspan="1" colspan="1">0.4569 (3)</td><td rowspan="1" colspan="1">−0.0425 (3)</td><td rowspan="1" colspan="1">0.0640 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H19A</td><td rowspan="1" colspan="1">0.2760</td><td rowspan="1" colspan="1">0.4999</td><td rowspan="1" colspan="1">−0.0144</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H19B</td><td rowspan="1" colspan="1">0.4015</td><td rowspan="1" colspan="1">0.4944</td><td rowspan="1" colspan="1">−0.0115</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.2600 (3)</td><td rowspan="1" colspan="1">0.3284 (3)</td><td rowspan="1" colspan="1">−0.0220 (2)</td><td rowspan="1" colspan="1">0.0456 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">−0.2939 (5)</td><td rowspan="1" colspan="1">−0.1633 (5)</td><td rowspan="1" colspan="1">−0.6054 (3)</td><td rowspan="1" colspan="1">0.1053 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H21A</td><td rowspan="1" colspan="1">−0.3540</td><td rowspan="1" colspan="1">−0.1780</td><td rowspan="1" colspan="1">−0.6652</td><td rowspan="1" colspan="1">0.158*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H21B</td><td rowspan="1" colspan="1">−0.3319</td><td rowspan="1" colspan="1">−0.2160</td><td rowspan="1" colspan="1">−0.5633</td><td rowspan="1" colspan="1">0.158*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H21C</td><td rowspan="1" colspan="1">−0.2263</td><td rowspan="1" colspan="1">−0.1776</td><td rowspan="1" colspan="1">−0.6155</td><td rowspan="1" colspan="1">0.158*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">−0.1625 (3)</td><td rowspan="1" colspan="1">−0.0060 (4)</td><td rowspan="1" colspan="1">−0.4787 (3)</td><td rowspan="1" colspan="1">0.0617 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">−0.1222 (3)</td><td rowspan="1" colspan="1">−0.0781 (3)</td><td rowspan="1" colspan="1">−0.4219 (3)</td><td rowspan="1" colspan="1">0.0585 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H23A</td><td rowspan="1" colspan="1">−0.1556</td><td rowspan="1" colspan="1">−0.1601</td><td rowspan="1" colspan="1">−0.4422</td><td rowspan="1" colspan="1">0.070*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">−0.0336 (3)</td><td rowspan="1" colspan="1">−0.0302 (3)</td><td rowspan="1" colspan="1">−0.3362 (2)</td><td rowspan="1" colspan="1">0.0488 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.0151 (3)</td><td rowspan="1" colspan="1">0.0914 (3)</td><td rowspan="1" colspan="1">−0.3078 (2)</td><td rowspan="1" colspan="1">0.0594 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H25A</td><td rowspan="1" colspan="1">0.0751</td><td rowspan="1" colspan="1">0.1250</td><td rowspan="1" colspan="1">−0.2501</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">−0.0237 (4)</td><td rowspan="1" colspan="1">0.1647 (4)</td><td rowspan="1" colspan="1">−0.3637 (3)</td><td rowspan="1" colspan="1">0.0667 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H26A</td><td rowspan="1" colspan="1">0.0107</td><td rowspan="1" colspan="1">0.2468</td><td rowspan="1" colspan="1">−0.3437</td><td rowspan="1" colspan="1">0.080*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">−0.1136 (3)</td><td rowspan="1" colspan="1">0.1156 (4)</td><td rowspan="1" colspan="1">−0.4491 (2)</td><td rowspan="1" colspan="1">0.0602 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">−0.1058 (5)</td><td rowspan="1" colspan="1">0.3062 (5)</td><td rowspan="1" colspan="1">−0.4796 (4)</td><td rowspan="1" colspan="1">0.1056 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H28A</td><td rowspan="1" colspan="1">−0.1433</td><td rowspan="1" colspan="1">0.3422</td><td rowspan="1" colspan="1">−0.5267</td><td rowspan="1" colspan="1">0.158*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H28B</td><td rowspan="1" colspan="1">−0.0181</td><td rowspan="1" colspan="1">0.3405</td><td rowspan="1" colspan="1">−0.4726</td><td rowspan="1" colspan="1">0.158*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H28C</td><td rowspan="1" colspan="1">−0.1210</td><td rowspan="1" colspan="1">0.3206</td><td rowspan="1" colspan="1">−0.4199</td><td rowspan="1" colspan="1">0.158*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.0109 (3)</td><td rowspan="1" colspan="1">−0.1085 (3)</td><td rowspan="1" colspan="1">−0.2735 (2)</td><td rowspan="1" colspan="1">0.0544 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H29A</td><td rowspan="1" colspan="1">−0.0424</td><td rowspan="1" colspan="1">−0.1925</td><td rowspan="1" colspan="1">−0.2975</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H29B</td><td rowspan="1" colspan="1">0.0943</td><td rowspan="1" colspan="1">−0.0927</td><td rowspan="1" colspan="1">−0.2755</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.0095 (3)</td><td rowspan="1" colspan="1">−0.0830 (3)</td><td rowspan="1" colspan="1">−0.1716 (2)</td><td rowspan="1" colspan="1">0.0459 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.3467 (3)</td><td rowspan="1" colspan="1">0.1640 (3)</td><td rowspan="1" colspan="1">0.2691 (2)</td><td rowspan="1" colspan="1">0.0534 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H31A</td><td rowspan="1" colspan="1">0.2728</td><td rowspan="1" colspan="1">0.1600</td><td rowspan="1" colspan="1">0.2779</td><td rowspan="1" colspan="1">0.064*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.4414 (3)</td><td rowspan="1" colspan="1">0.1785 (3)</td><td rowspan="1" colspan="1">0.3499 (3)</td><td rowspan="1" colspan="1">0.0617 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H32A</td><td rowspan="1" colspan="1">0.4311</td><td rowspan="1" colspan="1">0.1860</td><td rowspan="1" colspan="1">0.4105</td><td rowspan="1" colspan="1">0.074*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.5489 (3)</td><td rowspan="1" colspan="1">0.1816 (3)</td><td rowspan="1" colspan="1">0.3375 (3)</td><td rowspan="1" colspan="1">0.0645 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H33A</td><td rowspan="1" colspan="1">0.6129</td><td rowspan="1" colspan="1">0.1906</td><td rowspan="1" colspan="1">0.3901</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.5632 (3)</td><td rowspan="1" colspan="1">0.1712 (3)</td><td rowspan="1" colspan="1">0.2472 (3)</td><td rowspan="1" colspan="1">0.0549 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.6728 (3)</td><td rowspan="1" colspan="1">0.1718 (3)</td><td rowspan="1" colspan="1">0.2281 (4)</td><td rowspan="1" colspan="1">0.0746 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H35A</td><td rowspan="1" colspan="1">0.7371</td><td rowspan="1" colspan="1">0.1761</td><td rowspan="1" colspan="1">0.2786</td><td rowspan="1" colspan="1">0.089*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.6844 (3)</td><td rowspan="1" colspan="1">0.1663 (4)</td><td rowspan="1" colspan="1">0.1397 (4)</td><td rowspan="1" colspan="1">0.0761 (13)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H36A</td><td rowspan="1" colspan="1">0.7570</td><td rowspan="1" colspan="1">0.1673</td><td rowspan="1" colspan="1">0.1302</td><td rowspan="1" colspan="1">0.091*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">0.5883 (3)</td><td rowspan="1" colspan="1">0.1588 (3)</td><td rowspan="1" colspan="1">0.0593 (3)</td><td rowspan="1" colspan="1">0.0592 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">0.5985 (3)</td><td rowspan="1" colspan="1">0.1566 (3)</td><td rowspan="1" colspan="1">−0.0335 (3)</td><td rowspan="1" colspan="1">0.0713 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H38A</td><td rowspan="1" colspan="1">0.6712</td><td rowspan="1" colspan="1">0.1615</td><td rowspan="1" colspan="1">−0.0457</td><td rowspan="1" colspan="1">0.086*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">0.5023 (4)</td><td rowspan="1" colspan="1">0.1473 (4)</td><td rowspan="1" colspan="1">−0.1062 (3)</td><td rowspan="1" colspan="1">0.0726 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H39A</td><td rowspan="1" colspan="1">0.5090</td><td rowspan="1" colspan="1">0.1484</td><td rowspan="1" colspan="1">−0.1684</td><td rowspan="1" colspan="1">0.087*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">0.3922 (3)</td><td rowspan="1" colspan="1">0.1361 (3)</td><td rowspan="1" colspan="1">−0.0859 (3)</td><td rowspan="1" colspan="1">0.0600 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H40A</td><td rowspan="1" colspan="1">0.3258</td><td rowspan="1" colspan="1">0.1273</td><td rowspan="1" colspan="1">−0.1363</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.4763 (3)</td><td rowspan="1" colspan="1">0.1515 (3)</td><td rowspan="1" colspan="1">0.0748 (3)</td><td rowspan="1" colspan="1">0.0485 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.4642 (3)</td><td rowspan="1" colspan="1">0.1595 (3)</td><td rowspan="1" colspan="1">0.1689 (2)</td><td rowspan="1" colspan="1">0.0442 (8)</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="d1e2111"><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">Tm1</td><td rowspan="1" colspan="1">0.04263 (9)</td><td rowspan="1" colspan="1">0.06291 (11)</td><td rowspan="1" colspan="1">0.03925 (9)</td><td rowspan="1" colspan="1">0.03882 (7)</td><td rowspan="1" colspan="1">0.01862 (6)</td><td rowspan="1" colspan="1">0.02181 (7)</td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.0437 (14)</td><td rowspan="1" colspan="1">0.0538 (17)</td><td rowspan="1" colspan="1">0.0553 (18)</td><td rowspan="1" colspan="1">0.0325 (13)</td><td rowspan="1" colspan="1">0.0142 (12)</td><td rowspan="1" colspan="1">0.0189 (14)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0606 (14)</td><td rowspan="1" colspan="1">0.0536 (14)</td><td rowspan="1" colspan="1">0.0516 (14)</td><td rowspan="1" colspan="1">0.0386 (12)</td><td rowspan="1" colspan="1">0.0048 (11)</td><td rowspan="1" colspan="1">0.0131 (11)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.085 (3)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.058 (2)</td><td rowspan="1" colspan="1">0.055 (2)</td><td rowspan="1" colspan="1">0.0112 (19)</td><td rowspan="1" colspan="1">0.0174 (19)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0852 (18)</td><td rowspan="1" colspan="1">0.0539 (16)</td><td rowspan="1" colspan="1">0.0568 (16)</td><td rowspan="1" colspan="1">0.0380 (14)</td><td rowspan="1" colspan="1">−0.0132 (13)</td><td rowspan="1" colspan="1">0.0011 (13)</td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.0496 (15)</td><td rowspan="1" colspan="1">0.0606 (18)</td><td rowspan="1" colspan="1">0.0589 (18)</td><td rowspan="1" colspan="1">0.0355 (14)</td><td rowspan="1" colspan="1">0.0275 (14)</td><td rowspan="1" colspan="1">0.0227 (14)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.0425 (16)</td><td rowspan="1" colspan="1">0.052 (2)</td><td rowspan="1" colspan="1">0.0419 (18)</td><td rowspan="1" colspan="1">0.0303 (15)</td><td rowspan="1" colspan="1">0.0132 (14)</td><td rowspan="1" colspan="1">0.0166 (15)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0473 (12)</td><td rowspan="1" colspan="1">0.0716 (15)</td><td rowspan="1" colspan="1">0.0467 (13)</td><td rowspan="1" colspan="1">0.0461 (11)</td><td rowspan="1" colspan="1">0.0211 (10)</td><td rowspan="1" colspan="1">0.0259 (11)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.062 (2)</td><td rowspan="1" colspan="1">0.057 (2)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">0.0425 (18)</td><td rowspan="1" colspan="1">0.0064 (16)</td><td rowspan="1" colspan="1">0.0029 (17)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0422 (12)</td><td rowspan="1" colspan="1">0.0622 (14)</td><td rowspan="1" colspan="1">0.0601 (14)</td><td rowspan="1" colspan="1">0.0369 (11)</td><td rowspan="1" colspan="1">0.0178 (10)</td><td rowspan="1" colspan="1">0.0243 (12)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.058 (2)</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1">0.053 (2)</td><td rowspan="1" colspan="1">0.0375 (19)</td><td rowspan="1" colspan="1">−0.0061 (16)</td><td rowspan="1" colspan="1">0.0000 (18)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.093 (2)</td><td rowspan="1" colspan="1">0.117 (2)</td><td rowspan="1" colspan="1">0.0538 (16)</td><td rowspan="1" colspan="1">0.0547 (18)</td><td rowspan="1" colspan="1">0.0318 (15)</td><td rowspan="1" colspan="1">0.0371 (16)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.0411 (17)</td><td rowspan="1" colspan="1">0.049 (2)</td><td rowspan="1" colspan="1">0.055 (2)</td><td rowspan="1" colspan="1">0.0275 (15)</td><td rowspan="1" colspan="1">0.0089 (15)</td><td rowspan="1" colspan="1">0.0168 (16)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.0489 (18)</td><td rowspan="1" colspan="1">0.0406 (18)</td><td rowspan="1" colspan="1">0.054 (2)</td><td rowspan="1" colspan="1">0.0255 (15)</td><td rowspan="1" colspan="1">0.0155 (15)</td><td rowspan="1" colspan="1">0.0158 (16)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0758 (18)</td><td rowspan="1" colspan="1">0.102 (2)</td><td rowspan="1" colspan="1">0.086 (2)</td><td rowspan="1" colspan="1">0.0550 (17)</td><td rowspan="1" colspan="1">0.0296 (15)</td><td rowspan="1" colspan="1">0.0426 (17)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.0538 (13)</td><td rowspan="1" colspan="1">0.0596 (15)</td><td rowspan="1" colspan="1">0.0419 (13)</td><td rowspan="1" colspan="1">0.0341 (12)</td><td rowspan="1" colspan="1">0.0197 (10)</td><td rowspan="1" colspan="1">0.0159 (12)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.0472 (17)</td><td rowspan="1" colspan="1">0.0441 (19)</td><td rowspan="1" colspan="1">0.0422 (18)</td><td rowspan="1" colspan="1">0.0235 (15)</td><td rowspan="1" colspan="1">0.0095 (14)</td><td rowspan="1" colspan="1">0.0116 (15)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.0776 (16)</td><td rowspan="1" colspan="1">0.0684 (16)</td><td rowspan="1" colspan="1">0.0387 (13)</td><td rowspan="1" colspan="1">0.0454 (13)</td><td rowspan="1" colspan="1">0.0210 (11)</td><td rowspan="1" colspan="1">0.0209 (12)</td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.097 (3)</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1">0.080 (3)</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">−0.015 (2)</td><td rowspan="1" colspan="1">−0.010 (2)</td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.0455 (18)</td><td rowspan="1" colspan="1">0.055 (2)</td><td rowspan="1" colspan="1">0.070 (2)</td><td rowspan="1" colspan="1">0.0310 (17)</td><td rowspan="1" colspan="1">0.0078 (16)</td><td rowspan="1" colspan="1">0.0166 (18)</td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">0.101 (2)</td><td rowspan="1" colspan="1">0.092 (2)</td><td rowspan="1" colspan="1">0.078 (2)</td><td rowspan="1" colspan="1">0.0443 (19)</td><td rowspan="1" colspan="1">−0.0206 (18)</td><td rowspan="1" colspan="1">−0.0066 (18)</td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.0466 (18)</td><td rowspan="1" colspan="1">0.063 (2)</td><td rowspan="1" colspan="1">0.0347 (17)</td><td rowspan="1" colspan="1">0.0405 (17)</td><td rowspan="1" colspan="1">0.0144 (13)</td><td rowspan="1" colspan="1">0.0146 (15)</td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">0.101 (2)</td><td rowspan="1" colspan="1">0.086 (2)</td><td rowspan="1" colspan="1">0.0683 (19)</td><td rowspan="1" colspan="1">0.0523 (18)</td><td rowspan="1" colspan="1">0.0012 (16)</td><td rowspan="1" colspan="1">0.0217 (16)</td></tr><tr><td rowspan="1" colspan="1">O11</td><td rowspan="1" colspan="1">0.0476 (13)</td><td rowspan="1" colspan="1">0.0688 (15)</td><td rowspan="1" colspan="1">0.0452 (13)</td><td rowspan="1" colspan="1">0.0393 (12)</td><td rowspan="1" colspan="1">0.0220 (11)</td><td rowspan="1" colspan="1">0.0189 (11)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.141 (4)</td><td rowspan="1" colspan="1">0.134 (4)</td><td rowspan="1" colspan="1">0.055 (3)</td><td rowspan="1" colspan="1">0.067 (4)</td><td rowspan="1" colspan="1">0.046 (3)</td><td rowspan="1" colspan="1">0.034 (3)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">0.0271 (19)</td><td rowspan="1" colspan="1">0.0227 (17)</td><td rowspan="1" colspan="1">0.0229 (18)</td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">0.0468 (12)</td><td rowspan="1" colspan="1">0.0839 (17)</td><td rowspan="1" colspan="1">0.0425 (13)</td><td rowspan="1" colspan="1">0.0401 (12)</td><td rowspan="1" colspan="1">0.0180 (10)</td><td rowspan="1" colspan="1">0.0170 (12)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.067 (2)</td><td rowspan="1" colspan="1">0.073 (3)</td><td rowspan="1" colspan="1">0.063 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.0336 (19)</td><td rowspan="1" colspan="1">0.019 (2)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.069 (2)</td><td rowspan="1" colspan="1">0.074 (3)</td><td rowspan="1" colspan="1">0.059 (2)</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">0.0185 (19)</td><td rowspan="1" colspan="1">0.027 (2)</td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">0.0207 (17)</td><td rowspan="1" colspan="1">0.0237 (17)</td><td rowspan="1" colspan="1">0.0157 (17)</td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.055 (2)</td><td rowspan="1" colspan="1">0.060 (2)</td><td rowspan="1" colspan="1">0.0282 (18)</td><td rowspan="1" colspan="1">0.0294 (18)</td><td rowspan="1" colspan="1">0.0185 (18)</td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.061 (2)</td><td rowspan="1" colspan="1">0.055 (2)</td><td rowspan="1" colspan="1">0.060 (2)</td><td rowspan="1" colspan="1">0.0288 (18)</td><td rowspan="1" colspan="1">0.0206 (18)</td><td rowspan="1" colspan="1">0.0229 (18)</td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.075 (3)</td><td rowspan="1" colspan="1">0.101 (4)</td><td rowspan="1" colspan="1">0.121 (4)</td><td rowspan="1" colspan="1">0.053 (3)</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">0.033 (3)</td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.077 (3)</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">0.025 (2)</td><td rowspan="1" colspan="1">0.0199 (18)</td><td rowspan="1" colspan="1">0.0160 (19)</td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.0430 (17)</td><td rowspan="1" colspan="1">0.065 (2)</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1">0.0352 (17)</td><td rowspan="1" colspan="1">0.0141 (14)</td><td rowspan="1" colspan="1">0.0178 (18)</td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.091 (3)</td><td rowspan="1" colspan="1">0.126 (5)</td><td rowspan="1" colspan="1">0.073 (3)</td><td rowspan="1" colspan="1">0.040 (3)</td><td rowspan="1" colspan="1">−0.008 (3)</td><td rowspan="1" colspan="1">−0.024 (3)</td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.060 (2)</td><td rowspan="1" colspan="1">0.076 (3)</td><td rowspan="1" colspan="1">0.048 (2)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">0.0076 (17)</td><td rowspan="1" colspan="1">0.013 (2)</td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.058 (2)</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1">0.054 (2)</td><td rowspan="1" colspan="1">0.0277 (19)</td><td rowspan="1" colspan="1">0.0145 (17)</td><td rowspan="1" colspan="1">0.0062 (19)</td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.0536 (19)</td><td rowspan="1" colspan="1">0.071 (3)</td><td rowspan="1" colspan="1">0.0369 (18)</td><td rowspan="1" colspan="1">0.0351 (18)</td><td rowspan="1" colspan="1">0.0225 (15)</td><td rowspan="1" colspan="1">0.0174 (17)</td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.070 (2)</td><td rowspan="1" colspan="1">0.066 (3)</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.0074 (17)</td><td rowspan="1" colspan="1">0.0117 (18)</td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.082 (3)</td><td rowspan="1" colspan="1">0.063 (2)</td><td rowspan="1" colspan="1">0.052 (2)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">0.011 (2)</td><td rowspan="1" colspan="1">0.0130 (19)</td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.067 (2)</td><td rowspan="1" colspan="1">0.073 (3)</td><td rowspan="1" colspan="1">0.044 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.0110 (17)</td><td rowspan="1" colspan="1">0.019 (2)</td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.132 (4)</td><td rowspan="1" colspan="1">0.086 (4)</td><td rowspan="1" colspan="1">0.097 (4)</td><td rowspan="1" colspan="1">0.053 (3)</td><td rowspan="1" colspan="1">0.013 (3)</td><td rowspan="1" colspan="1">0.040 (3)</td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.075 (2)</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.0266 (16)</td><td rowspan="1" colspan="1">0.0155 (18)</td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.054 (2)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1">0.0426 (18)</td><td rowspan="1" colspan="1">0.0442 (18)</td><td rowspan="1" colspan="1">0.0218 (16)</td><td rowspan="1" colspan="1">0.0221 (17)</td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.054 (2)</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1">0.054 (2)</td><td rowspan="1" colspan="1">0.0370 (18)</td><td rowspan="1" colspan="1">0.0136 (16)</td><td rowspan="1" colspan="1">0.0200 (18)</td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.065 (2)</td><td rowspan="1" colspan="1">0.067 (2)</td><td rowspan="1" colspan="1">0.054 (2)</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.0039 (18)</td><td rowspan="1" colspan="1">0.0174 (19)</td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.057 (2)</td><td rowspan="1" colspan="1">0.057 (2)</td><td rowspan="1" colspan="1">0.068 (3)</td><td rowspan="1" colspan="1">0.0271 (19)</td><td rowspan="1" colspan="1">−0.0076 (19)</td><td rowspan="1" colspan="1">0.009 (2)</td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.0394 (18)</td><td rowspan="1" colspan="1">0.0397 (19)</td><td rowspan="1" colspan="1">0.081 (3)</td><td rowspan="1" colspan="1">0.0204 (15)</td><td rowspan="1" colspan="1">0.0012 (17)</td><td rowspan="1" colspan="1">0.0059 (18)</td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.0370 (19)</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1">0.114 (4)</td><td rowspan="1" colspan="1">0.0225 (18)</td><td rowspan="1" colspan="1">−0.004 (2)</td><td rowspan="1" colspan="1">−0.005 (3)</td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.0330 (19)</td><td rowspan="1" colspan="1">0.065 (3)</td><td rowspan="1" colspan="1">0.131 (4)</td><td rowspan="1" colspan="1">0.0257 (18)</td><td rowspan="1" colspan="1">0.016 (2)</td><td rowspan="1" colspan="1">−0.002 (3)</td></tr><tr><td rowspan="1" colspan="1">C37</td><td rowspan="1" colspan="1">0.0403 (18)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1">0.104 (3)</td><td rowspan="1" colspan="1">0.0265 (16)</td><td rowspan="1" colspan="1">0.0279 (19)</td><td rowspan="1" colspan="1">0.010 (2)</td></tr><tr><td rowspan="1" colspan="1">C38</td><td rowspan="1" colspan="1">0.049 (2)</td><td rowspan="1" colspan="1">0.063 (2)</td><td rowspan="1" colspan="1">0.120 (4)</td><td rowspan="1" colspan="1">0.0294 (19)</td><td rowspan="1" colspan="1">0.046 (2)</td><td rowspan="1" colspan="1">0.010 (2)</td></tr><tr><td rowspan="1" colspan="1">C39</td><td rowspan="1" colspan="1">0.073 (3)</td><td rowspan="1" colspan="1">0.076 (3)</td><td rowspan="1" colspan="1">0.097 (3)</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1">0.055 (2)</td><td rowspan="1" colspan="1">0.023 (2)</td></tr><tr><td rowspan="1" colspan="1">C40</td><td rowspan="1" colspan="1">0.059 (2)</td><td rowspan="1" colspan="1">0.074 (3)</td><td rowspan="1" colspan="1">0.071 (3)</td><td rowspan="1" colspan="1">0.042 (2)</td><td rowspan="1" colspan="1">0.0354 (19)</td><td rowspan="1" colspan="1">0.024 (2)</td></tr><tr><td rowspan="1" colspan="1">C41</td><td rowspan="1" colspan="1">0.0388 (17)</td><td rowspan="1" colspan="1">0.0427 (19)</td><td rowspan="1" colspan="1">0.074 (2)</td><td rowspan="1" colspan="1">0.0238 (15)</td><td rowspan="1" colspan="1">0.0208 (16)</td><td rowspan="1" colspan="1">0.0148 (17)</td></tr><tr><td rowspan="1" colspan="1">C42</td><td rowspan="1" colspan="1">0.0380 (16)</td><td rowspan="1" colspan="1">0.0388 (18)</td><td rowspan="1" colspan="1">0.065 (2)</td><td rowspan="1" colspan="1">0.0244 (14)</td><td rowspan="1" colspan="1">0.0142 (15)</td><td rowspan="1" colspan="1">0.0163 (16)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, °)</title><table-wrap position="anchor" id="d1e3040"><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">Tm1—O3<sup>i</sup></td><td rowspan="1" colspan="1">2.2840 (18)</td><td rowspan="1" colspan="1">C12—C17</td><td rowspan="1" colspan="1">1.399 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O12<sup>i</sup></td><td rowspan="1" colspan="1">2.308 (2)</td><td rowspan="1" colspan="1">O12—C30</td><td rowspan="1" colspan="1">1.258 (4)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O11</td><td rowspan="1" colspan="1">2.317 (2)</td><td rowspan="1" colspan="1">O12—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">2.308 (2)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O8</td><td rowspan="1" colspan="1">2.348 (2)</td><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.389 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O7</td><td rowspan="1" colspan="1">2.444 (2)</td><td rowspan="1" colspan="1">C13—H13A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Tm1—O4</td><td rowspan="1" colspan="1">2.4459 (19)</td><td rowspan="1" colspan="1">C14—C15</td><td rowspan="1" colspan="1">1.382 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O3</td><td rowspan="1" colspan="1">2.497 (2)</td><td rowspan="1" colspan="1">C14—H14A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Tm1—N2</td><td rowspan="1" colspan="1">2.502 (2)</td><td rowspan="1" colspan="1">C15—C16</td><td rowspan="1" colspan="1">1.378 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1—N1</td><td rowspan="1" colspan="1">2.581 (2)</td><td rowspan="1" colspan="1">C15—C19</td><td rowspan="1" colspan="1">1.508 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1—C20</td><td rowspan="1" colspan="1">2.750 (3)</td><td rowspan="1" colspan="1">C16—C17</td><td rowspan="1" colspan="1">1.371 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1—C10</td><td rowspan="1" colspan="1">2.846 (3)</td><td rowspan="1" colspan="1">C16—H16A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">3.8506 (3)</td><td rowspan="1" colspan="1">C18—H18A</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N1—C31</td><td rowspan="1" colspan="1">1.321 (4)</td><td rowspan="1" colspan="1">C18—H18B</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N1—C42</td><td rowspan="1" colspan="1">1.363 (4)</td><td rowspan="1" colspan="1">C18—H18C</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">O1—C2</td><td rowspan="1" colspan="1">1.367 (3)</td><td rowspan="1" colspan="1">C19—C20</td><td rowspan="1" colspan="1">1.514 (5)</td></tr><tr><td rowspan="1" colspan="1">O1—C1</td><td rowspan="1" colspan="1">1.430 (4)</td><td rowspan="1" colspan="1">C19—H19A</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">C1—H1A</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C19—H19B</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">C1—H1B</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C21—H21A</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">C1—H1C</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C21—H21B</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">O2—C7</td><td rowspan="1" colspan="1">1.367 (4)</td><td rowspan="1" colspan="1">C21—H21C</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">O2—C8</td><td rowspan="1" colspan="1">1.410 (4)</td><td rowspan="1" colspan="1">C22—C27</td><td rowspan="1" colspan="1">1.379 (5)</td></tr><tr><td rowspan="1" colspan="1">N2—C40</td><td rowspan="1" colspan="1">1.314 (4)</td><td rowspan="1" colspan="1">C22—C23</td><td rowspan="1" colspan="1">1.392 (5)</td></tr><tr><td rowspan="1" colspan="1">N2—C41</td><td rowspan="1" colspan="1">1.363 (4)</td><td rowspan="1" colspan="1">C23—C24</td><td rowspan="1" colspan="1">1.378 (5)</td></tr><tr><td rowspan="1" colspan="1">C2—C3</td><td rowspan="1" colspan="1">1.365 (4)</td><td rowspan="1" colspan="1">C23—H23A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C2—C7</td><td rowspan="1" colspan="1">1.404 (4)</td><td rowspan="1" colspan="1">C24—C25</td><td rowspan="1" colspan="1">1.377 (5)</td></tr><tr><td rowspan="1" colspan="1">O3—C10</td><td rowspan="1" colspan="1">1.280 (3)</td><td rowspan="1" colspan="1">C24—C29</td><td rowspan="1" colspan="1">1.523 (4)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">2.2840 (18)</td><td rowspan="1" colspan="1">C25—C26</td><td rowspan="1" colspan="1">1.388 (5)</td></tr><tr><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.390 (4)</td><td rowspan="1" colspan="1">C25—H25A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C3—H3A</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C26—C27</td><td rowspan="1" colspan="1">1.383 (5)</td></tr><tr><td rowspan="1" colspan="1">O4—C10</td><td rowspan="1" colspan="1">1.240 (4)</td><td rowspan="1" colspan="1">C26—H26A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.375 (4)</td><td rowspan="1" colspan="1">C28—H28A</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">C4—H4A</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C28—H28B</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">O5—C12</td><td rowspan="1" colspan="1">1.374 (4)</td><td rowspan="1" colspan="1">C28—H28C</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">O5—C11</td><td rowspan="1" colspan="1">1.403 (5)</td><td rowspan="1" colspan="1">C29—C30</td><td rowspan="1" colspan="1">1.517 (4)</td></tr><tr><td rowspan="1" colspan="1">C5—C6</td><td rowspan="1" colspan="1">1.387 (4)</td><td rowspan="1" colspan="1">C29—H29A</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">C5—C9</td><td rowspan="1" colspan="1">1.511 (4)</td><td rowspan="1" colspan="1">C29—H29B</td><td rowspan="1" colspan="1">0.9700</td></tr><tr><td rowspan="1" colspan="1">C6—C7</td><td rowspan="1" colspan="1">1.376 (4)</td><td rowspan="1" colspan="1">C31—C32</td><td rowspan="1" colspan="1">1.398 (4)</td></tr><tr><td rowspan="1" colspan="1">C6—H6A</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C31—H31A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O6—C17</td><td rowspan="1" colspan="1">1.362 (4)</td><td rowspan="1" colspan="1">C32—C33</td><td rowspan="1" colspan="1">1.361 (5)</td></tr><tr><td rowspan="1" colspan="1">O6—C18</td><td rowspan="1" colspan="1">1.425 (5)</td><td rowspan="1" colspan="1">C32—H32A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O7—C20</td><td rowspan="1" colspan="1">1.242 (4)</td><td rowspan="1" colspan="1">C33—C34</td><td rowspan="1" colspan="1">1.378 (5)</td></tr><tr><td rowspan="1" colspan="1">O8—C20</td><td rowspan="1" colspan="1">1.264 (4)</td><td rowspan="1" colspan="1">C33—H33A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C8—H8A</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C34—C42</td><td rowspan="1" colspan="1">1.418 (4)</td></tr><tr><td rowspan="1" colspan="1">C8—H8B</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C34—C35</td><td rowspan="1" colspan="1">1.436 (5)</td></tr><tr><td rowspan="1" colspan="1">C8—H8C</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C35—C36</td><td rowspan="1" colspan="1">1.333 (6)</td></tr><tr><td rowspan="1" colspan="1">C9—C10</td><td rowspan="1" colspan="1">1.500 (5)</td><td rowspan="1" colspan="1">C35—H35A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C9—H9A</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C36—C37</td><td rowspan="1" colspan="1">1.430 (6)</td></tr><tr><td rowspan="1" colspan="1">C9—H9B</td><td rowspan="1" colspan="1">0.9700</td><td rowspan="1" colspan="1">C36—H36A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O9—C22</td><td rowspan="1" colspan="1">1.380 (4)</td><td rowspan="1" colspan="1">C37—C38</td><td rowspan="1" colspan="1">1.388 (6)</td></tr><tr><td rowspan="1" colspan="1">O9—C21</td><td rowspan="1" colspan="1">1.381 (5)</td><td rowspan="1" colspan="1">C37—C41</td><td rowspan="1" colspan="1">1.414 (4)</td></tr><tr><td rowspan="1" colspan="1">O10—C27</td><td rowspan="1" colspan="1">1.367 (4)</td><td rowspan="1" colspan="1">C38—C39</td><td rowspan="1" colspan="1">1.356 (6)</td></tr><tr><td rowspan="1" colspan="1">O10—C28</td><td rowspan="1" colspan="1">1.415 (5)</td><td rowspan="1" colspan="1">C38—H38A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O11—C30</td><td rowspan="1" colspan="1">1.259 (4)</td><td rowspan="1" colspan="1">C39—C40</td><td rowspan="1" colspan="1">1.404 (5)</td></tr><tr><td rowspan="1" colspan="1">C11—H11C</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C39—H39A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C11—H11D</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C40—H40A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C11—H11A</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C41—C42</td><td rowspan="1" colspan="1">1.419 (5)</td></tr><tr><td rowspan="1" colspan="1">C12—C13</td><td rowspan="1" colspan="1">1.359 (5)</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">O3<sup>i</sup>—Tm1—O12<sup>i</sup></td><td rowspan="1" colspan="1">75.69 (7)</td><td rowspan="1" colspan="1">O3—C10—Tm1</td><td rowspan="1" colspan="1">61.27 (16)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O11</td><td rowspan="1" colspan="1">76.05 (7)</td><td rowspan="1" colspan="1">C9—C10—Tm1</td><td rowspan="1" colspan="1">178.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O11</td><td rowspan="1" colspan="1">138.51 (8)</td><td rowspan="1" colspan="1">C27—O10—C28</td><td rowspan="1" colspan="1">117.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O8</td><td rowspan="1" colspan="1">89.39 (8)</td><td rowspan="1" colspan="1">C30—O11—Tm1</td><td rowspan="1" colspan="1">135.28 (19)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O8</td><td rowspan="1" colspan="1">79.23 (8)</td><td rowspan="1" colspan="1">O5—C11—H11C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O8</td><td rowspan="1" colspan="1">129.97 (7)</td><td rowspan="1" colspan="1">O5—C11—H11D</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O7</td><td rowspan="1" colspan="1">74.97 (7)</td><td rowspan="1" colspan="1">H11C—C11—H11D</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O7</td><td rowspan="1" colspan="1">124.10 (7)</td><td rowspan="1" colspan="1">O5—C11—H11A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O7</td><td rowspan="1" colspan="1">75.85 (8)</td><td rowspan="1" colspan="1">H11C—C11—H11A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—O7</td><td rowspan="1" colspan="1">54.12 (8)</td><td rowspan="1" colspan="1">H11D—C11—H11A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O4</td><td rowspan="1" colspan="1">124.40 (7)</td><td rowspan="1" colspan="1">C13—C12—O5</td><td rowspan="1" colspan="1">125.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O4</td><td rowspan="1" colspan="1">93.43 (7)</td><td rowspan="1" colspan="1">C13—C12—C17</td><td rowspan="1" colspan="1">119.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O4</td><td rowspan="1" colspan="1">78.36 (7)</td><td rowspan="1" colspan="1">O5—C12—C17</td><td rowspan="1" colspan="1">114.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—O4</td><td rowspan="1" colspan="1">142.79 (8)</td><td rowspan="1" colspan="1">C30—O12—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">137.4 (2)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—O4</td><td rowspan="1" colspan="1">142.18 (7)</td><td rowspan="1" colspan="1">C12—C13—C14</td><td rowspan="1" colspan="1">120.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O3</td><td rowspan="1" colspan="1">72.78 (7)</td><td rowspan="1" colspan="1">C12—C13—H13A</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O3</td><td rowspan="1" colspan="1">71.47 (8)</td><td rowspan="1" colspan="1">C14—C13—H13A</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O3</td><td rowspan="1" colspan="1">71.52 (7)</td><td rowspan="1" colspan="1">C15—C14—C13</td><td rowspan="1" colspan="1">120.3 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—O3</td><td rowspan="1" colspan="1">148.56 (7)</td><td rowspan="1" colspan="1">C15—C14—H14A</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—O3</td><td rowspan="1" colspan="1">138.45 (7)</td><td rowspan="1" colspan="1">C13—C14—H14A</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—O3</td><td rowspan="1" colspan="1">52.42 (6)</td><td rowspan="1" colspan="1">C16—C15—C14</td><td rowspan="1" colspan="1">118.7 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—N2</td><td rowspan="1" colspan="1">141.43 (8)</td><td rowspan="1" colspan="1">C16—C15—C19</td><td rowspan="1" colspan="1">120.3 (3)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—N2</td><td rowspan="1" colspan="1">139.68 (8)</td><td rowspan="1" colspan="1">C14—C15—C19</td><td rowspan="1" colspan="1">121.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—N2</td><td rowspan="1" colspan="1">78.56 (8)</td><td rowspan="1" colspan="1">C17—C16—C15</td><td rowspan="1" colspan="1">121.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—N2</td><td rowspan="1" colspan="1">85.13 (8)</td><td rowspan="1" colspan="1">C17—C16—H16A</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—N2</td><td rowspan="1" colspan="1">70.97 (7)</td><td rowspan="1" colspan="1">C15—C16—H16A</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—N2</td><td rowspan="1" colspan="1">77.18 (8)</td><td rowspan="1" colspan="1">O6—C17—C16</td><td rowspan="1" colspan="1">125.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—N2</td><td rowspan="1" colspan="1">124.89 (7)</td><td rowspan="1" colspan="1">O6—C17—C12</td><td rowspan="1" colspan="1">115.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—N1</td><td rowspan="1" colspan="1">149.64 (8)</td><td rowspan="1" colspan="1">C16—C17—C12</td><td rowspan="1" colspan="1">119.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—N1</td><td rowspan="1" colspan="1">75.49 (8)</td><td rowspan="1" colspan="1">O6—C18—H18A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—N1</td><td rowspan="1" colspan="1">133.46 (7)</td><td rowspan="1" colspan="1">O6—C18—H18B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—N1</td><td rowspan="1" colspan="1">76.06 (8)</td><td rowspan="1" colspan="1">H18A—C18—H18B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—N1</td><td rowspan="1" colspan="1">114.57 (8)</td><td rowspan="1" colspan="1">O6—C18—H18C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—N1</td><td rowspan="1" colspan="1">66.81 (8)</td><td rowspan="1" colspan="1">H18A—C18—H18C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—N1</td><td rowspan="1" colspan="1">106.50 (7)</td><td rowspan="1" colspan="1">H18B—C18—H18C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—N1</td><td rowspan="1" colspan="1">64.71 (9)</td><td rowspan="1" colspan="1">C15—C19—C20</td><td rowspan="1" colspan="1">114.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—C20</td><td rowspan="1" colspan="1">81.95 (8)</td><td rowspan="1" colspan="1">C15—C19—H19A</td><td rowspan="1" colspan="1">108.5</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—C20</td><td rowspan="1" colspan="1">102.70 (9)</td><td rowspan="1" colspan="1">C20—C19—H19A</td><td rowspan="1" colspan="1">108.5</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—C20</td><td rowspan="1" colspan="1">102.70 (9)</td><td rowspan="1" colspan="1">C15—C19—H19B</td><td rowspan="1" colspan="1">108.5</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—C20</td><td rowspan="1" colspan="1">27.28 (9)</td><td rowspan="1" colspan="1">C20—C19—H19B</td><td rowspan="1" colspan="1">108.5</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—C20</td><td rowspan="1" colspan="1">26.86 (8)</td><td rowspan="1" colspan="1">H19A—C19—H19B</td><td rowspan="1" colspan="1">107.5</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—C20</td><td rowspan="1" colspan="1">152.20 (8)</td><td rowspan="1" colspan="1">O7—C20—O8</td><td rowspan="1" colspan="1">121.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—C20</td><td rowspan="1" colspan="1">154.73 (7)</td><td rowspan="1" colspan="1">O7—C20—C19</td><td rowspan="1" colspan="1">121.7 (3)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—C20</td><td rowspan="1" colspan="1">75.87 (8)</td><td rowspan="1" colspan="1">O8—C20—C19</td><td rowspan="1" colspan="1">117.3 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—C20</td><td rowspan="1" colspan="1">95.26 (9)</td><td rowspan="1" colspan="1">O7—C20—Tm1</td><td rowspan="1" colspan="1">62.72 (17)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—C10</td><td rowspan="1" colspan="1">99.16 (8)</td><td rowspan="1" colspan="1">O8—C20—Tm1</td><td rowspan="1" colspan="1">58.36 (17)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—C10</td><td rowspan="1" colspan="1">81.72 (8)</td><td rowspan="1" colspan="1">C19—C20—Tm1</td><td rowspan="1" colspan="1">175.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—C10</td><td rowspan="1" colspan="1">73.53 (8)</td><td rowspan="1" colspan="1">O9—C21—H21A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—C10</td><td rowspan="1" colspan="1">156.48 (8)</td><td rowspan="1" colspan="1">O9—C21—H21B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—C10</td><td rowspan="1" colspan="1">149.32 (8)</td><td rowspan="1" colspan="1">H21A—C21—H21B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—C10</td><td rowspan="1" colspan="1">25.70 (7)</td><td rowspan="1" colspan="1">O9—C21—H21C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—C10</td><td rowspan="1" colspan="1">26.72 (7)</td><td rowspan="1" colspan="1">H21A—C21—H21C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—C10</td><td rowspan="1" colspan="1">100.89 (8)</td><td rowspan="1" colspan="1">H21B—C21—H21C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—C10</td><td rowspan="1" colspan="1">85.93 (8)</td><td rowspan="1" colspan="1">C27—C22—O9</td><td rowspan="1" colspan="1">114.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—C10</td><td rowspan="1" colspan="1">175.58 (9)</td><td rowspan="1" colspan="1">C27—C22—C23</td><td rowspan="1" colspan="1">119.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">38.27 (5)</td><td rowspan="1" colspan="1">O9—C22—C23</td><td rowspan="1" colspan="1">125.4 (4)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">69.35 (5)</td><td rowspan="1" colspan="1">C24—C23—C22</td><td rowspan="1" colspan="1">121.2 (4)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">69.60 (5)</td><td rowspan="1" colspan="1">C24—C23—H23A</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">123.15 (6)</td><td rowspan="1" colspan="1">C22—C23—H23A</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">109.36 (5)</td><td rowspan="1" colspan="1">C25—C24—C23</td><td rowspan="1" colspan="1">118.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">86.54 (5)</td><td rowspan="1" colspan="1">C25—C24—C29</td><td rowspan="1" colspan="1">120.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">34.51 (4)</td><td rowspan="1" colspan="1">C23—C24—C29</td><td rowspan="1" colspan="1">121.5 (3)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">146.58 (7)</td><td rowspan="1" colspan="1">C24—C25—C26</td><td rowspan="1" colspan="1">121.1 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">134.10 (6)</td><td rowspan="1" colspan="1">C24—C25—H25A</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">120.22 (6)</td><td rowspan="1" colspan="1">C26—C25—H25A</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">61.01 (6)</td><td rowspan="1" colspan="1">C27—C26—C25</td><td rowspan="1" colspan="1">119.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C31—N1—C42</td><td rowspan="1" colspan="1">117.6 (3)</td><td rowspan="1" colspan="1">C27—C26—H26A</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C31—N1—Tm1</td><td rowspan="1" colspan="1">124.5 (2)</td><td rowspan="1" colspan="1">C25—C26—H26A</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">C42—N1—Tm1</td><td rowspan="1" colspan="1">117.2 (2)</td><td rowspan="1" colspan="1">O10—C27—C22</td><td rowspan="1" colspan="1">116.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—O1—C1</td><td rowspan="1" colspan="1">116.1 (2)</td><td rowspan="1" colspan="1">O10—C27—C26</td><td rowspan="1" colspan="1">123.9 (4)</td></tr><tr><td rowspan="1" colspan="1">O1—C1—H1A</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C22—C27—C26</td><td rowspan="1" colspan="1">119.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O1—C1—H1B</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">O10—C28—H28A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">H1A—C1—H1B</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">O10—C28—H28B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O1—C1—H1C</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">H28A—C28—H28B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">H1A—C1—H1C</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">O10—C28—H28C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">H1B—C1—H1C</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">H28A—C28—H28C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C7—O2—C8</td><td rowspan="1" colspan="1">117.0 (3)</td><td rowspan="1" colspan="1">H28B—C28—H28C</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C40—N2—C41</td><td rowspan="1" colspan="1">118.4 (3)</td><td rowspan="1" colspan="1">C30—C29—C24</td><td rowspan="1" colspan="1">110.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C40—N2—Tm1</td><td rowspan="1" colspan="1">121.5 (2)</td><td rowspan="1" colspan="1">C30—C29—H29A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C41—N2—Tm1</td><td rowspan="1" colspan="1">120.0 (2)</td><td rowspan="1" colspan="1">C24—C29—H29A</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C3—C2—O1</td><td rowspan="1" colspan="1">124.8 (3)</td><td rowspan="1" colspan="1">C30—C29—H29B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C7</td><td rowspan="1" colspan="1">118.9 (3)</td><td rowspan="1" colspan="1">C24—C29—H29B</td><td rowspan="1" colspan="1">109.5</td></tr><tr><td rowspan="1" colspan="1">O1—C2—C7</td><td rowspan="1" colspan="1">116.4 (3)</td><td rowspan="1" colspan="1">H29A—C29—H29B</td><td rowspan="1" colspan="1">108.1</td></tr><tr><td rowspan="1" colspan="1">C10—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">158.6 (2)</td><td rowspan="1" colspan="1">O12—C30—O11</td><td rowspan="1" colspan="1">125.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C10—O3—Tm1</td><td rowspan="1" colspan="1">92.01 (18)</td><td rowspan="1" colspan="1">O12—C30—C29</td><td rowspan="1" colspan="1">116.7 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—O3—Tm1</td><td rowspan="1" colspan="1">107.22 (7)</td><td rowspan="1" colspan="1">O11—C30—C29</td><td rowspan="1" colspan="1">117.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4</td><td rowspan="1" colspan="1">120.2 (3)</td><td rowspan="1" colspan="1">N1—C31—C32</td><td rowspan="1" colspan="1">123.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—H3A</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">N1—C31—H31A</td><td rowspan="1" colspan="1">118.0</td></tr><tr><td rowspan="1" colspan="1">C4—C3—H3A</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C32—C31—H31A</td><td rowspan="1" colspan="1">118.0</td></tr><tr><td rowspan="1" colspan="1">C10—O4—Tm1</td><td rowspan="1" colspan="1">95.47 (17)</td><td rowspan="1" colspan="1">C33—C32—C31</td><td rowspan="1" colspan="1">118.4 (4)</td></tr><tr><td rowspan="1" colspan="1">C5—C4—C3</td><td rowspan="1" colspan="1">121.8 (3)</td><td rowspan="1" colspan="1">C33—C32—H32A</td><td rowspan="1" colspan="1">120.8</td></tr><tr><td rowspan="1" colspan="1">C5—C4—H4A</td><td rowspan="1" colspan="1">119.1</td><td rowspan="1" colspan="1">C31—C32—H32A</td><td rowspan="1" colspan="1">120.8</td></tr><tr><td rowspan="1" colspan="1">C3—C4—H4A</td><td rowspan="1" colspan="1">119.1</td><td rowspan="1" colspan="1">C32—C33—C34</td><td rowspan="1" colspan="1">120.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C12—O5—C11</td><td rowspan="1" colspan="1">117.8 (3)</td><td rowspan="1" colspan="1">C32—C33—H33A</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6</td><td rowspan="1" colspan="1">117.4 (3)</td><td rowspan="1" colspan="1">C34—C33—H33A</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C9</td><td rowspan="1" colspan="1">121.0 (3)</td><td rowspan="1" colspan="1">C33—C34—C42</td><td rowspan="1" colspan="1">118.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C6—C5—C9</td><td rowspan="1" colspan="1">121.5 (3)</td><td rowspan="1" colspan="1">C33—C34—C35</td><td rowspan="1" colspan="1">123.7 (4)</td></tr><tr><td rowspan="1" colspan="1">C7—C6—C5</td><td rowspan="1" colspan="1">121.7 (3)</td><td rowspan="1" colspan="1">C42—C34—C35</td><td rowspan="1" colspan="1">118.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C7—C6—H6A</td><td rowspan="1" colspan="1">119.2</td><td rowspan="1" colspan="1">C36—C35—C34</td><td rowspan="1" colspan="1">121.5 (4)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—H6A</td><td rowspan="1" colspan="1">119.2</td><td rowspan="1" colspan="1">C36—C35—H35A</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">C17—O6—C18</td><td rowspan="1" colspan="1">118.0 (3)</td><td rowspan="1" colspan="1">C34—C35—H35A</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">C20—O7—Tm1</td><td rowspan="1" colspan="1">90.42 (18)</td><td rowspan="1" colspan="1">C35—C36—C37</td><td rowspan="1" colspan="1">121.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O2—C7—C6</td><td rowspan="1" colspan="1">125.3 (3)</td><td rowspan="1" colspan="1">C35—C36—H36A</td><td rowspan="1" colspan="1">119.1</td></tr><tr><td rowspan="1" colspan="1">O2—C7—C2</td><td rowspan="1" colspan="1">114.9 (3)</td><td rowspan="1" colspan="1">C37—C36—H36A</td><td rowspan="1" colspan="1">119.1</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C2</td><td rowspan="1" colspan="1">119.8 (3)</td><td rowspan="1" colspan="1">C38—C37—C41</td><td rowspan="1" colspan="1">118.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C20—O8—Tm1</td><td rowspan="1" colspan="1">94.4 (2)</td><td rowspan="1" colspan="1">C38—C37—C36</td><td rowspan="1" colspan="1">123.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O2—C8—H8A</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C41—C37—C36</td><td rowspan="1" colspan="1">118.3 (4)</td></tr><tr><td rowspan="1" colspan="1">O2—C8—H8B</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C39—C38—C37</td><td rowspan="1" colspan="1">119.8 (3)</td></tr><tr><td rowspan="1" colspan="1">H8A—C8—H8B</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C39—C38—H38A</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">O2—C8—H8C</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C37—C38—H38A</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">H8A—C8—H8C</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C38—C39—C40</td><td rowspan="1" colspan="1">118.9 (4)</td></tr><tr><td rowspan="1" colspan="1">H8B—C8—H8C</td><td rowspan="1" colspan="1">109.5</td><td rowspan="1" colspan="1">C38—C39—H39A</td><td rowspan="1" colspan="1">120.6</td></tr><tr><td rowspan="1" colspan="1">C10—C9—C5</td><td rowspan="1" colspan="1">118.0 (3)</td><td rowspan="1" colspan="1">C40—C39—H39A</td><td rowspan="1" colspan="1">120.6</td></tr><tr><td rowspan="1" colspan="1">C10—C9—H9A</td><td rowspan="1" colspan="1">107.8</td><td rowspan="1" colspan="1">N2—C40—C39</td><td rowspan="1" colspan="1">123.2 (4)</td></tr><tr><td rowspan="1" colspan="1">C5—C9—H9A</td><td rowspan="1" colspan="1">107.8</td><td rowspan="1" colspan="1">N2—C40—H40A</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">C10—C9—H9B</td><td rowspan="1" colspan="1">107.8</td><td rowspan="1" colspan="1">C39—C40—H40A</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">C5—C9—H9B</td><td rowspan="1" colspan="1">107.8</td><td rowspan="1" colspan="1">N2—C41—C37</td><td rowspan="1" colspan="1">121.3 (3)</td></tr><tr><td rowspan="1" colspan="1">H9A—C9—H9B</td><td rowspan="1" colspan="1">107.1</td><td rowspan="1" colspan="1">N2—C41—C42</td><td rowspan="1" colspan="1">118.6 (3)</td></tr><tr><td rowspan="1" colspan="1">C22—O9—C21</td><td rowspan="1" colspan="1">118.6 (4)</td><td rowspan="1" colspan="1">C37—C41—C42</td><td rowspan="1" colspan="1">120.1 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—C10—O3</td><td rowspan="1" colspan="1">120.1 (3)</td><td rowspan="1" colspan="1">N1—C42—C34</td><td rowspan="1" colspan="1">121.7 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—C10—C9</td><td rowspan="1" colspan="1">122.9 (3)</td><td rowspan="1" colspan="1">N1—C42—C41</td><td rowspan="1" colspan="1">118.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O3—C10—C9</td><td rowspan="1" colspan="1">117.0 (3)</td><td rowspan="1" colspan="1">C34—C42—C41</td><td rowspan="1" colspan="1">119.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—C10—Tm1</td><td rowspan="1" colspan="1">58.82 (15)</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">O3<sup>i</sup>—Tm1—N1—C31</td><td rowspan="1" colspan="1">25.7 (3)</td><td rowspan="1" colspan="1">N2—Tm1—C10—O4</td><td rowspan="1" colspan="1">23.0 (2)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—N1—C31</td><td rowspan="1" colspan="1">6.9 (2)</td><td rowspan="1" colspan="1">N1—Tm1—C10—O4</td><td rowspan="1" colspan="1">−40.31 (18)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—N1—C31</td><td rowspan="1" colspan="1">−138.2 (2)</td><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—C10—O4</td><td rowspan="1" colspan="1">172.9 (2)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—N1—C31</td><td rowspan="1" colspan="1">89.2 (3)</td><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—C10—O3</td><td rowspan="1" colspan="1">−9.1 (2)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—N1—C31</td><td rowspan="1" colspan="1">128.1 (2)</td><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—C10—O3</td><td rowspan="1" colspan="1">64.85 (16)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—N1—C31</td><td rowspan="1" colspan="1">−93.3 (3)</td><td rowspan="1" colspan="1">O11—Tm1—C10—O3</td><td rowspan="1" colspan="1">−81.50 (16)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—N1—C31</td><td rowspan="1" colspan="1">−58.3 (3)</td><td rowspan="1" colspan="1">O8—Tm1—C10—O3</td><td rowspan="1" colspan="1">101.0 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—N1—C31</td><td rowspan="1" colspan="1">−179.6 (3)</td><td rowspan="1" colspan="1">O7—Tm1—C10—O3</td><td rowspan="1" colspan="1">−85.0 (2)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—N1—C31</td><td rowspan="1" colspan="1">108.7 (3)</td><td rowspan="1" colspan="1">O4—Tm1—C10—O3</td><td rowspan="1" colspan="1">−178.9 (3)</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—N1—C31</td><td rowspan="1" colspan="1">−75.6 (3)</td><td rowspan="1" colspan="1">N2—Tm1—C10—O3</td><td rowspan="1" colspan="1">−155.98 (16)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—N1—C31</td><td rowspan="1" colspan="1">−33.8 (3)</td><td rowspan="1" colspan="1">N1—Tm1—C10—O3</td><td rowspan="1" colspan="1">140.75 (17)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—N1—C42</td><td rowspan="1" colspan="1">−163.31 (18)</td><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—C10—O3</td><td rowspan="1" colspan="1">−6.08 (13)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—N1—C42</td><td rowspan="1" colspan="1">178.0 (2)</td><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O11—C30</td><td rowspan="1" colspan="1">−22.7 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—N1—C42</td><td rowspan="1" colspan="1">32.8 (2)</td><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O11—C30</td><td rowspan="1" colspan="1">25.6 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—N1—C42</td><td rowspan="1" colspan="1">−99.8 (2)</td><td rowspan="1" colspan="1">O8—Tm1—O11—C30</td><td rowspan="1" colspan="1">−99.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—N1—C42</td><td rowspan="1" colspan="1">−60.8 (2)</td><td rowspan="1" colspan="1">O7—Tm1—O11—C30</td><td rowspan="1" colspan="1">−100.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—N1—C42</td><td rowspan="1" colspan="1">77.7 (2)</td><td rowspan="1" colspan="1">O4—Tm1—O11—C30</td><td rowspan="1" colspan="1">107.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—N1—C42</td><td rowspan="1" colspan="1">112.7 (2)</td><td rowspan="1" colspan="1">O3—Tm1—O11—C30</td><td rowspan="1" colspan="1">53.5 (3)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—N1—C42</td><td rowspan="1" colspan="1">−8.6 (2)</td><td rowspan="1" colspan="1">N2—Tm1—O11—C30</td><td rowspan="1" colspan="1">−173.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—N1—C42</td><td rowspan="1" colspan="1">−80.3 (2)</td><td rowspan="1" colspan="1">N1—Tm1—O11—C30</td><td rowspan="1" colspan="1">149.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—N1—C42</td><td rowspan="1" colspan="1">95.5 (2)</td><td rowspan="1" colspan="1">C20—Tm1—O11—C30</td><td rowspan="1" colspan="1">−100.9 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—N1—C42</td><td rowspan="1" colspan="1">137.26 (18)</td><td rowspan="1" colspan="1">C10—Tm1—O11—C30</td><td rowspan="1" colspan="1">81.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—N2—C40</td><td rowspan="1" colspan="1">−16.0 (3)</td><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—O11—C30</td><td rowspan="1" colspan="1">16.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—N2—C40</td><td rowspan="1" colspan="1">−165.9 (2)</td><td rowspan="1" colspan="1">C11—O5—C12—C13</td><td rowspan="1" colspan="1">−5.0 (6)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—N2—C40</td><td rowspan="1" colspan="1">33.5 (3)</td><td rowspan="1" colspan="1">C11—O5—C12—C17</td><td rowspan="1" colspan="1">174.0 (4)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—N2—C40</td><td rowspan="1" colspan="1">−98.9 (3)</td><td rowspan="1" colspan="1">O5—C12—C13—C14</td><td rowspan="1" colspan="1">178.4 (4)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—N2—C40</td><td rowspan="1" colspan="1">−45.3 (3)</td><td rowspan="1" colspan="1">C17—C12—C13—C14</td><td rowspan="1" colspan="1">−0.7 (6)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—N2—C40</td><td rowspan="1" colspan="1">114.0 (3)</td><td rowspan="1" colspan="1">C12—C13—C14—C15</td><td rowspan="1" colspan="1">0.1 (6)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—N2—C40</td><td rowspan="1" colspan="1">91.2 (3)</td><td rowspan="1" colspan="1">C13—C14—C15—C16</td><td rowspan="1" colspan="1">1.0 (6)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—N2—C40</td><td rowspan="1" colspan="1">−175.8 (3)</td><td rowspan="1" colspan="1">C13—C14—C15—C19</td><td rowspan="1" colspan="1">179.3 (3)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—N2—C40</td><td rowspan="1" colspan="1">−72.9 (3)</td><td rowspan="1" colspan="1">C14—C15—C16—C17</td><td rowspan="1" colspan="1">−1.6 (5)</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—N2—C40</td><td rowspan="1" colspan="1">104.1 (3)</td><td rowspan="1" colspan="1">C19—C15—C16—C17</td><td rowspan="1" colspan="1">−179.9 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—N2—C40</td><td rowspan="1" colspan="1">51.3 (3)</td><td rowspan="1" colspan="1">C18—O6—C17—C16</td><td rowspan="1" colspan="1">−7.7 (6)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—N2—C41</td><td rowspan="1" colspan="1">167.8 (2)</td><td rowspan="1" colspan="1">C18—O6—C17—C12</td><td rowspan="1" colspan="1">172.8 (4)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—N2—C41</td><td rowspan="1" colspan="1">17.9 (3)</td><td rowspan="1" colspan="1">C15—C16—C17—O6</td><td rowspan="1" colspan="1">−178.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—N2—C41</td><td rowspan="1" colspan="1">−142.6 (2)</td><td rowspan="1" colspan="1">C15—C16—C17—C12</td><td rowspan="1" colspan="1">1.1 (5)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—N2—C41</td><td rowspan="1" colspan="1">84.9 (2)</td><td rowspan="1" colspan="1">C13—C12—C17—O6</td><td rowspan="1" colspan="1">179.7 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—N2—C41</td><td rowspan="1" colspan="1">138.5 (2)</td><td rowspan="1" colspan="1">O5—C12—C17—O6</td><td rowspan="1" colspan="1">0.5 (5)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—N2—C41</td><td rowspan="1" colspan="1">−62.1 (2)</td><td rowspan="1" colspan="1">C13—C12—C17—C16</td><td rowspan="1" colspan="1">0.1 (6)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—N2—C41</td><td rowspan="1" colspan="1">−85.0 (2)</td><td rowspan="1" colspan="1">O5—C12—C17—C16</td><td rowspan="1" colspan="1">−179.1 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—N2—C41</td><td rowspan="1" colspan="1">8.0 (2)</td><td rowspan="1" colspan="1">C16—C15—C19—C20</td><td rowspan="1" colspan="1">102.8 (4)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—N2—C41</td><td rowspan="1" colspan="1">111.0 (2)</td><td rowspan="1" colspan="1">C14—C15—C19—C20</td><td rowspan="1" colspan="1">−75.4 (4)</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—N2—C41</td><td rowspan="1" colspan="1">−72.1 (2)</td><td rowspan="1" colspan="1">Tm1—O7—C20—O8</td><td rowspan="1" colspan="1">−3.0 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—N2—C41</td><td rowspan="1" colspan="1">−124.9 (2)</td><td rowspan="1" colspan="1">Tm1—O7—C20—C19</td><td rowspan="1" colspan="1">177.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—O1—C2—C3</td><td rowspan="1" colspan="1">−17.4 (4)</td><td rowspan="1" colspan="1">Tm1—O8—C20—O7</td><td rowspan="1" colspan="1">3.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C1—O1—C2—C7</td><td rowspan="1" colspan="1">163.7 (3)</td><td rowspan="1" colspan="1">Tm1—O8—C20—C19</td><td rowspan="1" colspan="1">−177.6 (2)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O3—C10</td><td rowspan="1" colspan="1">170.6 (2)</td><td rowspan="1" colspan="1">C15—C19—C20—O8</td><td rowspan="1" colspan="1">−171.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O3—C10</td><td rowspan="1" colspan="1">−109.14 (17)</td><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—C20—O7</td><td rowspan="1" colspan="1">−72.51 (16)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O3—C10</td><td rowspan="1" colspan="1">89.95 (17)</td><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—C20—O7</td><td rowspan="1" colspan="1">−145.79 (16)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—O3—C10</td><td rowspan="1" colspan="1">−131.31 (18)</td><td rowspan="1" colspan="1">O11—Tm1—C20—O7</td><td rowspan="1" colspan="1">1.14 (17)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—O3—C10</td><td rowspan="1" colspan="1">129.97 (17)</td><td rowspan="1" colspan="1">O8—Tm1—C20—O7</td><td rowspan="1" colspan="1">−177.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—O3—C10</td><td rowspan="1" colspan="1">0.58 (16)</td><td rowspan="1" colspan="1">O4—Tm1—C20—O7</td><td rowspan="1" colspan="1">90.2 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—O3—C10</td><td rowspan="1" colspan="1">29.2 (2)</td><td rowspan="1" colspan="1">O3—Tm1—C20—O7</td><td rowspan="1" colspan="1">−72.4 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—O3—C10</td><td rowspan="1" colspan="1">−41.16 (17)</td><td rowspan="1" colspan="1">N2—Tm1—C20—O7</td><td rowspan="1" colspan="1">75.68 (17)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—O3—C10</td><td rowspan="1" colspan="1">170.5 (2)</td><td rowspan="1" colspan="1">N1—Tm1—C20—O7</td><td rowspan="1" colspan="1">137.93 (16)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—O3—C10</td><td rowspan="1" colspan="1">170.6 (2)</td><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—C20—O7</td><td rowspan="1" colspan="1">−72.47 (17)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">0.0</td><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—C20—O8</td><td rowspan="1" colspan="1">104.51 (17)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">80.27 (8)</td><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—C20—O8</td><td rowspan="1" colspan="1">31.24 (18)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">−80.64 (8)</td><td rowspan="1" colspan="1">O11—Tm1—C20—O8</td><td rowspan="1" colspan="1">178.16 (16)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">58.10 (16)</td><td rowspan="1" colspan="1">O7—Tm1—C20—O8</td><td rowspan="1" colspan="1">177.0 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">−40.62 (13)</td><td rowspan="1" colspan="1">O4—Tm1—C20—O8</td><td rowspan="1" colspan="1">−92.7 (2)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">−170.01 (13)</td><td rowspan="1" colspan="1">O3—Tm1—C20—O8</td><td rowspan="1" colspan="1">104.6 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">−141.43 (9)</td><td rowspan="1" colspan="1">N2—Tm1—C20—O8</td><td rowspan="1" colspan="1">−107.29 (18)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">148.25 (9)</td><td rowspan="1" colspan="1">N1—Tm1—C20—O8</td><td rowspan="1" colspan="1">−45.04 (18)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">−0.1 (2)</td><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—C20—O8</td><td rowspan="1" colspan="1">104.56 (17)</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—O3—Tm1<sup>i</sup></td><td rowspan="1" colspan="1">−170.6 (2)</td><td rowspan="1" colspan="1">C21—O9—C22—C27</td><td rowspan="1" colspan="1">173.0 (4)</td></tr><tr><td rowspan="1" colspan="1">O1—C2—C3—C4</td><td rowspan="1" colspan="1">178.1 (3)</td><td rowspan="1" colspan="1">C21—O9—C22—C23</td><td rowspan="1" colspan="1">−7.0 (6)</td></tr><tr><td rowspan="1" colspan="1">C7—C2—C3—C4</td><td rowspan="1" colspan="1">−3.1 (5)</td><td rowspan="1" colspan="1">C27—C22—C23—C24</td><td rowspan="1" colspan="1">−0.2 (6)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O4—C10</td><td rowspan="1" colspan="1">−12.2 (2)</td><td rowspan="1" colspan="1">O9—C22—C23—C24</td><td rowspan="1" colspan="1">179.8 (4)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O4—C10</td><td rowspan="1" colspan="1">62.79 (19)</td><td rowspan="1" colspan="1">C22—C23—C24—C25</td><td rowspan="1" colspan="1">−0.3 (5)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O4—C10</td><td rowspan="1" colspan="1">−76.13 (18)</td><td rowspan="1" colspan="1">C22—C23—C24—C29</td><td rowspan="1" colspan="1">179.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—O4—C10</td><td rowspan="1" colspan="1">139.46 (18)</td><td rowspan="1" colspan="1">C23—C24—C25—C26</td><td rowspan="1" colspan="1">0.1 (5)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—O4—C10</td><td rowspan="1" colspan="1">−123.88 (19)</td><td rowspan="1" colspan="1">C29—C24—C25—C26</td><td rowspan="1" colspan="1">179.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—O4—C10</td><td rowspan="1" colspan="1">−0.60 (16)</td><td rowspan="1" colspan="1">C24—C25—C26—C27</td><td rowspan="1" colspan="1">0.6 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—O4—C10</td><td rowspan="1" colspan="1">−156.9 (2)</td><td rowspan="1" colspan="1">C28—O10—C27—C22</td><td rowspan="1" colspan="1">−178.8 (4)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—O4—C10</td><td rowspan="1" colspan="1">135.4 (2)</td><td rowspan="1" colspan="1">C28—O10—C27—C26</td><td rowspan="1" colspan="1">0.1 (6)</td></tr><tr><td rowspan="1" colspan="1">C20—Tm1—O4—C10</td><td rowspan="1" colspan="1">−171.3 (2)</td><td rowspan="1" colspan="1">O9—C22—C27—O10</td><td rowspan="1" colspan="1">−0.2 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—O4—C10</td><td rowspan="1" colspan="1">−6.26 (18)</td><td rowspan="1" colspan="1">C23—C22—C27—O10</td><td rowspan="1" colspan="1">179.8 (3)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C5</td><td rowspan="1" colspan="1">−1.3 (5)</td><td rowspan="1" colspan="1">O9—C22—C27—C26</td><td rowspan="1" colspan="1">−179.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5—C6</td><td rowspan="1" colspan="1">4.3 (5)</td><td rowspan="1" colspan="1">C23—C22—C27—C26</td><td rowspan="1" colspan="1">0.9 (6)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5—C9</td><td rowspan="1" colspan="1">−172.3 (3)</td><td rowspan="1" colspan="1">C25—C26—C27—O10</td><td rowspan="1" colspan="1">−179.9 (4)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6—C7</td><td rowspan="1" colspan="1">−3.0 (5)</td><td rowspan="1" colspan="1">C25—C26—C27—C22</td><td rowspan="1" colspan="1">−1.1 (6)</td></tr><tr><td rowspan="1" colspan="1">C9—C5—C6—C7</td><td rowspan="1" colspan="1">173.6 (3)</td><td rowspan="1" colspan="1">C25—C24—C29—C30</td><td rowspan="1" colspan="1">48.9 (4)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O7—C20</td><td rowspan="1" colspan="1">102.08 (17)</td><td rowspan="1" colspan="1">C23—C24—C29—C30</td><td rowspan="1" colspan="1">−131.3 (3)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O7—C20</td><td rowspan="1" colspan="1">41.48 (19)</td><td rowspan="1" colspan="1">Tm1<sup>i</sup>—O12—C30—O11</td><td rowspan="1" colspan="1">8.3 (5)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O7—C20</td><td rowspan="1" colspan="1">−178.85 (17)</td><td rowspan="1" colspan="1">Tm1<sup>i</sup>—O12—C30—C29</td><td rowspan="1" colspan="1">−169.3 (2)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—O7—C20</td><td rowspan="1" colspan="1">1.68 (16)</td><td rowspan="1" colspan="1">Tm1—O11—C30—O12</td><td rowspan="1" colspan="1">−22.4 (5)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—O7—C20</td><td rowspan="1" colspan="1">−130.47 (17)</td><td rowspan="1" colspan="1">Tm1—O11—C30—C29</td><td rowspan="1" colspan="1">155.2 (2)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—O7—C20</td><td rowspan="1" colspan="1">142.17 (16)</td><td rowspan="1" colspan="1">C24—C29—C30—O12</td><td rowspan="1" colspan="1">74.1 (4)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—O7—C20</td><td rowspan="1" colspan="1">−96.29 (18)</td><td rowspan="1" colspan="1">C24—C29—C30—O11</td><td rowspan="1" colspan="1">−103.7 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—O7—C20</td><td rowspan="1" colspan="1">−47.19 (18)</td><td rowspan="1" colspan="1">C42—N1—C31—C32</td><td rowspan="1" colspan="1">0.9 (5)</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—O7—C20</td><td rowspan="1" colspan="1">−175.35 (16)</td><td rowspan="1" colspan="1">Tm1—N1—C31—C32</td><td rowspan="1" colspan="1">171.9 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—O7—C20</td><td rowspan="1" colspan="1">119.15 (16)</td><td rowspan="1" colspan="1">N1—C31—C32—C33</td><td rowspan="1" colspan="1">−1.5 (6)</td></tr><tr><td rowspan="1" colspan="1">C8—O2—C7—C6</td><td rowspan="1" colspan="1">−12.4 (5)</td><td rowspan="1" colspan="1">C31—C32—C33—C34</td><td rowspan="1" colspan="1">0.4 (5)</td></tr><tr><td rowspan="1" colspan="1">C8—O2—C7—C2</td><td rowspan="1" colspan="1">168.0 (3)</td><td rowspan="1" colspan="1">C32—C33—C34—C42</td><td rowspan="1" colspan="1">1.0 (5)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—O2</td><td rowspan="1" colspan="1">179.1 (3)</td><td rowspan="1" colspan="1">C32—C33—C34—C35</td><td rowspan="1" colspan="1">−179.0 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—C2</td><td rowspan="1" colspan="1">−1.2 (5)</td><td rowspan="1" colspan="1">C33—C34—C35—C36</td><td rowspan="1" colspan="1">−177.3 (4)</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C7—O2</td><td rowspan="1" colspan="1">−176.0 (3)</td><td rowspan="1" colspan="1">C42—C34—C35—C36</td><td rowspan="1" colspan="1">2.7 (6)</td></tr><tr><td rowspan="1" colspan="1">O1—C2—C7—O2</td><td rowspan="1" colspan="1">2.9 (4)</td><td rowspan="1" colspan="1">C34—C35—C36—C37</td><td rowspan="1" colspan="1">−0.4 (6)</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C7—C6</td><td rowspan="1" colspan="1">4.3 (4)</td><td rowspan="1" colspan="1">C35—C36—C37—C38</td><td rowspan="1" colspan="1">178.0 (4)</td></tr><tr><td rowspan="1" colspan="1">O1—C2—C7—C6</td><td rowspan="1" colspan="1">−176.8 (3)</td><td rowspan="1" colspan="1">C35—C36—C37—C41</td><td rowspan="1" colspan="1">−3.0 (6)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—O8—C20</td><td rowspan="1" colspan="1">−73.46 (17)</td><td rowspan="1" colspan="1">C41—C37—C38—C39</td><td rowspan="1" colspan="1">−0.1 (5)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—O8—C20</td><td rowspan="1" colspan="1">−149.01 (18)</td><td rowspan="1" colspan="1">C36—C37—C38—C39</td><td rowspan="1" colspan="1">178.8 (4)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—O8—C20</td><td rowspan="1" colspan="1">−2.3 (2)</td><td rowspan="1" colspan="1">C37—C38—C39—C40</td><td rowspan="1" colspan="1">−2.1 (6)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—O8—C20</td><td rowspan="1" colspan="1">−1.66 (16)</td><td rowspan="1" colspan="1">C41—N2—C40—C39</td><td rowspan="1" colspan="1">0.7 (5)</td></tr><tr><td rowspan="1" colspan="1">O4—Tm1—O8—C20</td><td rowspan="1" colspan="1">129.61 (17)</td><td rowspan="1" colspan="1">Tm1—N2—C40—C39</td><td rowspan="1" colspan="1">−175.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—O8—C20</td><td rowspan="1" colspan="1">−127.64 (18)</td><td rowspan="1" colspan="1">C38—C39—C40—N2</td><td rowspan="1" colspan="1">1.9 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—Tm1—O8—C20</td><td rowspan="1" colspan="1">68.32 (18)</td><td rowspan="1" colspan="1">C40—N2—C41—C37</td><td rowspan="1" colspan="1">−3.0 (5)</td></tr><tr><td rowspan="1" colspan="1">N1—Tm1—O8—C20</td><td rowspan="1" colspan="1">133.45 (18)</td><td rowspan="1" colspan="1">Tm1—N2—C41—C37</td><td rowspan="1" colspan="1">173.2 (2)</td></tr><tr><td rowspan="1" colspan="1">C10—Tm1—O8—C20</td><td rowspan="1" colspan="1">174.55 (18)</td><td rowspan="1" colspan="1">C40—N2—C41—C42</td><td rowspan="1" colspan="1">176.6 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—Tm1—O8—C20</td><td rowspan="1" colspan="1">−92.58 (17)</td><td rowspan="1" colspan="1">Tm1—N2—C41—C42</td><td rowspan="1" colspan="1">−7.1 (4)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C9—C10</td><td rowspan="1" colspan="1">−128.0 (4)</td><td rowspan="1" colspan="1">C38—C37—C41—N2</td><td rowspan="1" colspan="1">2.8 (5)</td></tr><tr><td rowspan="1" colspan="1">C6—C5—C9—C10</td><td rowspan="1" colspan="1">55.6 (5)</td><td rowspan="1" colspan="1">C36—C37—C41—N2</td><td rowspan="1" colspan="1">−176.2 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O4—C10—O3</td><td rowspan="1" colspan="1">1.1 (3)</td><td rowspan="1" colspan="1">C38—C37—C41—C42</td><td rowspan="1" colspan="1">−176.8 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O4—C10—C9</td><td rowspan="1" colspan="1">−179.4 (3)</td><td rowspan="1" colspan="1">C36—C37—C41—C42</td><td rowspan="1" colspan="1">4.1 (5)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—O3—C10—O4</td><td rowspan="1" colspan="1">153.6 (4)</td><td rowspan="1" colspan="1">C31—N1—C42—C34</td><td rowspan="1" colspan="1">0.6 (4)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O3—C10—O4</td><td rowspan="1" colspan="1">−1.1 (3)</td><td rowspan="1" colspan="1">Tm1—N1—C42—C34</td><td rowspan="1" colspan="1">−171.0 (2)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—O3—C10—C9</td><td rowspan="1" colspan="1">−26.0 (7)</td><td rowspan="1" colspan="1">C31—N1—C42—C41</td><td rowspan="1" colspan="1">−179.5 (3)</td></tr><tr><td rowspan="1" colspan="1">Tm1—O3—C10—C9</td><td rowspan="1" colspan="1">179.4 (3)</td><td rowspan="1" colspan="1">Tm1—N1—C42—C41</td><td rowspan="1" colspan="1">8.9 (4)</td></tr><tr><td rowspan="1" colspan="1">Tm1<sup>i</sup>—O3—C10—Tm1</td><td rowspan="1" colspan="1">154.6 (5)</td><td rowspan="1" colspan="1">C33—C34—C42—N1</td><td rowspan="1" colspan="1">−1.6 (5)</td></tr><tr><td rowspan="1" colspan="1">C5—C9—C10—O4</td><td rowspan="1" colspan="1">9.4 (5)</td><td rowspan="1" colspan="1">C35—C34—C42—N1</td><td rowspan="1" colspan="1">178.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C5—C9—C10—O3</td><td rowspan="1" colspan="1">−171.1 (3)</td><td rowspan="1" colspan="1">C33—C34—C42—C41</td><td rowspan="1" colspan="1">178.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O3<sup>i</sup>—Tm1—C10—O4</td><td rowspan="1" colspan="1">169.83 (18)</td><td rowspan="1" colspan="1">C35—C34—C42—C41</td><td rowspan="1" colspan="1">−1.5 (5)</td></tr><tr><td rowspan="1" colspan="1">O12<sup>i</sup>—Tm1—C10—O4</td><td rowspan="1" colspan="1">−116.22 (19)</td><td rowspan="1" colspan="1">N2—C41—C42—N1</td><td rowspan="1" colspan="1">−1.5 (4)</td></tr><tr><td rowspan="1" colspan="1">O11—Tm1—C10—O4</td><td rowspan="1" colspan="1">97.43 (18)</td><td rowspan="1" colspan="1">C37—C41—C42—N1</td><td rowspan="1" colspan="1">178.2 (3)</td></tr><tr><td rowspan="1" colspan="1">O8—Tm1—C10—O4</td><td rowspan="1" colspan="1">−80.1 (3)</td><td rowspan="1" colspan="1">N2—C41—C42—C34</td><td rowspan="1" colspan="1">178.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O7—Tm1—C10—O4</td><td rowspan="1" colspan="1">93.9 (2)</td><td rowspan="1" colspan="1">C37—C41—C42—C34</td><td rowspan="1" colspan="1">−1.9 (5)</td></tr><tr><td rowspan="1" colspan="1">O3—Tm1—C10—O4</td><td rowspan="1" colspan="1">178.9 (3)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>, −<italic>y</italic>, −<italic>z</italic>.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Bruker (1997). <italic>SMART</italic> Bruker AXS Inc., Madison, Wisconsin, USA.</mixed-citation></ref><ref id="bb2"><mixed-citation 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(2008). <italic>Acta Cryst.</italic> E<bold>64</bold>, m468–m469.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Wang, X.-X. & Sevov, S. (2008). <italic>Inorg. Chem.</italic><bold>47</bold>, 1037–1043.</mixed-citation></ref><ref id="bb10"><mixed-citation publication-type="other">Yao, Y.-L., Che, Y.-X. & Zheng, J.-M. (2008). <italic>Cryst. Growth Des.</italic><bold>8</bold>, 2299–2306.</mixed-citation></ref></ref-list></back></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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