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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Tris(1,10-phenanthroline)cobalt(II) bis(perrhenate) monohydrate</title><author><name sortKey="Toumi Akriche, Samah" sort="Toumi Akriche, Samah" uniqKey="Toumi Akriche S" first="Samah" last="Toumi Akriche">Samah Toumi Akriche</name><affiliation><nlm:aff id="a">Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Al Othman, Zeid Abdellah" sort="Al Othman, Zeid Abdellah" uniqKey="Al Othman Z" first="Zeid Abdellah" last="Al Othman">Zeid Abdellah Al Othman</name><affiliation><nlm:aff id="b">Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451,<country>Saudi Arabia</country></nlm:aff></affiliation></author><author><name sortKey="Rzaigui, Mohamed" sort="Rzaigui, Mohamed" uniqKey="Rzaigui M" first="Mohamed" last="Rzaigui">Mohamed Rzaigui</name><affiliation><nlm:aff id="a">Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Mahfouz, Refaat Mohamed" sort="Mahfouz, Refaat Mohamed" uniqKey="Mahfouz R" first="Refaat Mohamed" last="Mahfouz">Refaat Mohamed Mahfouz</name><affiliation><nlm:aff id="b">Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451,<country>Saudi Arabia</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21587733</idno><idno type="pmc">3006859</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006859</idno><idno type="RBID">PMC:3006859</idno><idno type="doi">10.1107/S1600536810022750</idno><date when="2010">2010</date><idno type="wicri:Area/Pmc/Corpus">000391</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000391</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Tris(1,10-phenanthroline)cobalt(II) bis(perrhenate) monohydrate</title><author><name sortKey="Toumi Akriche, Samah" sort="Toumi Akriche, Samah" uniqKey="Toumi Akriche S" first="Samah" last="Toumi Akriche">Samah Toumi Akriche</name><affiliation><nlm:aff id="a">Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Al Othman, Zeid Abdellah" sort="Al Othman, Zeid Abdellah" uniqKey="Al Othman Z" first="Zeid Abdellah" last="Al Othman">Zeid Abdellah Al Othman</name><affiliation><nlm:aff id="b">Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451,<country>Saudi Arabia</country></nlm:aff></affiliation></author><author><name sortKey="Rzaigui, Mohamed" sort="Rzaigui, Mohamed" uniqKey="Rzaigui M" first="Mohamed" last="Rzaigui">Mohamed Rzaigui</name><affiliation><nlm:aff id="a">Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte,<country>Tunisia</country></nlm:aff></affiliation></author><author><name sortKey="Mahfouz, Refaat Mohamed" sort="Mahfouz, Refaat Mohamed" uniqKey="Mahfouz R" first="Refaat Mohamed" last="Mahfouz">Refaat Mohamed Mahfouz</name><affiliation><nlm:aff id="b">Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451,<country>Saudi Arabia</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2010">2010</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title compound, [Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>][ReO<sub>4</sub>]<sub>2</sub>·H<sub>2</sub>O, the Co<sup>II</sup> atom is coordinated by three 1,10-phenanthroline ligands in a distorted octahedral arrangement. In the crystal, the components are linked by O—H⋯O, C—H⋯O and aromatic π–π stacking [shortest centroid–centroid separation = 3.659 (5) Å] interactions.</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></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">21587733</article-id><article-id pub-id-type="pmc">3006859</article-id><article-id pub-id-type="publisher-id">hb5497</article-id><article-id pub-id-type="doi">10.1107/S1600536810022750</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536810022750</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>Tris(1,10-phenanthroline)cobalt(II) bis(perrhenate) monohydrate</article-title><alt-title><italic>[Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>][ReO<sub>4</sub>]<sub>2</sub>·H<sub>2</sub>O</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Toumi Akriche</surname><given-names>Samah</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><contrib contrib-type="author"><name><surname>Al Othman</surname><given-names>Zeid Abdellah</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Rzaigui</surname><given-names>Mohamed</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Mahfouz</surname><given-names>Refaat Mohamed</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><aff id="a"><label>a</label>Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte,<country>Tunisia</country></aff><aff id="b"><label>b</label>Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451,<country>Saudi Arabia</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>toumiakriche@yahoo.fr</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>7</month><year>2010</year></pub-date><pub-date pub-type="epub"><day>18</day><month>6</month><year>2010</year></pub-date><pub-date pub-type="pmc-release"><day>18</day><month>6</month><year>2010</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>66</volume><issue>Pt 7</issue><issue-id pub-id-type="publisher-id">e100700</issue-id><fpage>m816</fpage><lpage>m816</lpage><history><date date-type="received"><day>11</day><month>6</month><year>2010</year></date><date date-type="accepted"><day>13</day><month>6</month><year>2010</year></date></history><permissions><copyright-statement>© Toumi Akriche 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/S1600536810022750">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title compound, [Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>][ReO<sub>4</sub>]<sub>2</sub>·H<sub>2</sub>O, the Co<sup>II</sup> atom is coordinated by three 1,10-phenanthroline ligands in a distorted octahedral arrangement. In the crystal, the components are linked by O—H⋯O, C—H⋯O and aromatic π–π stacking [shortest centroid–centroid separation = 3.659 (5) Å] interactions.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature</title><p>For a related structure and biological background information, see: Li <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb8"> ▶</xref>). For geometrical features in related structures, see: Ikotun <italic>et al.</italic> (2008<xref ref-type="bibr" rid="bb7"> ▶</xref>); Addison <italic>et al.</italic> (1984<xref ref-type="bibr" rid="bb1"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-66-0m816-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>[Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>][ReO<sub>4</sub>]<sub>2</sub>·H<sub>2</sub>O</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 1117.96</p></list-item><list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-66-0m816-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 10.350 (5) Å</p></list-item><list-item><p><italic>b</italic> = 13.133 (3) Å</p></list-item><list-item><p><italic>c</italic> = 14.392 (2) Å</p></list-item><list-item><p>α = 73.58 (2)°</p></list-item><list-item><p>β = 71.18 (2)°</p></list-item><list-item><p>γ = 78.50 (3)°</p></list-item><list-item><p><italic>V</italic> = 1763.6 (10) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 2</p></list-item><list-item><p>Ag <italic>K</italic>α radiation</p></list-item><list-item><p>λ = 0.56087 Å</p></list-item><list-item><p>μ = 3.97 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 293 K</p></list-item><list-item><p>0.17 × 0.15 × 0.13 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection</title><p><list list-type="simple"><list-item><p>Enraf–Nonius CAD-4 diffractometer</p></list-item><list-item><p>24086 measured reflections</p></list-item><list-item><p>17274 independent reflections</p></list-item><list-item><p>8056 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.027</p></list-item><list-item><p>2 standard reflections every 120 min intensity decay: 3%</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>)] = 0.083</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.244</p></list-item><list-item><p><italic>S</italic> = 0.98</p></list-item><list-item><p>17274 reflections</p></list-item><list-item><p>493 parameters</p></list-item><list-item><p>3 restraints</p></list-item><list-item><p>H atoms treated by a mixture of independent and constrained refinement</p></list-item><list-item><p>Δρ<sub>max</sub> = 5.34 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −5.31 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e592"><title></title><p>Data collection: <italic>CAD-4 EXPRESS</italic> (Enraf–Nonius, 1994<xref ref-type="bibr" rid="bb3"> ▶</xref>); cell refinement: <italic>CAD-4 EXPRESS</italic>; data reduction: <italic>XCAD4</italic> (Harms & Wocadlo, 1995<xref ref-type="bibr" rid="bb6"> ▶</xref>); program(s) used to solve structure: <italic>SHELXS86</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb9"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb9"> ▶</xref>); molecular graphics: <italic>ORTEP-3</italic> (Farrugia, 1997<xref ref-type="bibr" rid="bb4"> ▶</xref>) and <italic>DIAMOND</italic> (Brandenburg & Putz, 2005<xref ref-type="bibr" rid="bb2"> ▶</xref>); software used to prepare material for publication: <italic>WinGX</italic> (Farrugia, 1999<xref ref-type="bibr" rid="bb5"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data" xlink:href="e-66-0m816-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/S1600536810022750/hb5497sup1.cif">10.1107/S1600536810022750/hb5497sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-66-0m816-sup1.cif" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material content-type="local-data" xlink:href="e-66-0m816-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/S1600536810022750/hb5497Isup2.hkl">10.1107/S1600536810022750/hb5497Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-66-0m816-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?hb5497&file=hb5497sup0.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?hb5497sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?hb5497&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?hb5497">HB5497</ext-link>).</p></fn></fn-group><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>As part of our exploration of metal complexes with possible
biological applications (Li <italic>et al.</italic>, 2010), we now report the
structure of the title compound, (I)>
It contains one cationic mononuclear species [Co(phen)<sub>3</sub>]<sup>2+</sup>,
two perrhenate anions, and one lattice water molecule (Fig. 1). The unique
crystallographically independent Co<sup>II</sup> exhibits a distorted octahedral
environment with a τ value of 0.05 (2) calaculated using the approach of
Reedijk and co-workers (Addison <italic>et al.</italic>, 1984). Six nitrogen
donors from
three bidendate phen ligands are coordinated to Co<sup>II</sup>. The Co<sup>II</sup> is slightly
displaced from the octahedron centroid by 0.053 (1) Å. The structural data
are in good agreement with those of the cobalt(II) complexes which exhibit a
similar geometry (Li <italic>et al.</italic>, 2010). The phen molecules are nearly planar
(mean deviation is 0.048 (3) Å). The mean dihedral angle between the two
pyridyl planes being 3.0 (2)°. The intra-ring C—N and C—C bond distances
have respectively the usual mean values 1,344 (8) Å) and 1.397 (11)Å (Ikotun
<italic>et al.</italic>, 2008). The angles subtended by the bidentate phen ligand
at the
cobalt atom are comparable with a mean value 77,9(2)°. The charges are
counterbalanced by uncoordinated perrhenate anions which are connected through
hydrogen bonds (C—H ···O) to the coordinated phen molecules (Table 1 and
Fig. 2). The mononuclear units are also interconnected through intermolecular
hydrogen bonds involving the uncoordinated water molecule and perrhenate
oxygen atoms (Table 1) to form trinuclear unit which is further stabilized by
the inter-phen ring <italic>p</italic>-p stacking (Fig. 2). The mean interplanar
distance is 3.719 Å and the angle made by ring normal and the vector between
the ring centroids is 7.95° (mean value).</p></sec><sec id="experimental"><title>Experimental </title><p>An aqueous solution (15 ml) of NH<sub>4</sub>ReO<sub>4</sub> (0.54 g; 2 mmol) was slowly added
under stirring to a mixture of ethanol (5 ml) and water (15 ml) containing
phen (0,42 g; 3 mmol) and CoCl<sub>2</sub> (0.2 g; 1 mmol). The purple solution
was left in air for a week and pink prisms of (I) were recovered.</p></sec><sec id="refinement"><title>Refinement </title><p>The water H atoms were located in a difference map and freely refined.
All H atoms attached to C atoms were fixed geometrically and treated as riding,
with C—H = 0.93 Å and with <italic>U</italic><sub>iso</sub>(H) = 1.2Ueq(C).</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>The structure of (I) with displacement ellipsoids drawn at the 30% probability level.</p></caption><graphic xlink:href="e-66-0m816-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>Hydrogen-bonding interactions in (I); the H-atoms not involved in H-bonding are omitted.</p></caption><graphic xlink:href="e-66-0m816-fig2"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e143"><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">[Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>][ReO<sub>4</sub>]<sub>2</sub>·H<sub>2</sub>O</td><td rowspan="1" colspan="1"><italic>Z</italic> = 2</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 1117.96</td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 1066</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> = 2.105 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">Ag <italic>K</italic>α radiation, λ = 0.56087 Å</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 10.350 (5) Å</td><td rowspan="1" colspan="1">Cell parameters from 25 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 13.133 (3) Å</td><td rowspan="1" colspan="1">θ = 9–11°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 14.392 (2) Å</td><td rowspan="1" colspan="1">µ = 3.97 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">α = 73.58 (2)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 293 K</td></tr><tr><td rowspan="1" colspan="1">β = 71.18 (2)°</td><td rowspan="1" colspan="1">Prism, pink</td></tr><tr><td rowspan="1" colspan="1">γ = 78.50 (3)°</td><td rowspan="1" colspan="1">0.17 × 0.15 × 0.13 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 1763.6 (10) Å<sup>3</sup></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e290"><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">Enraf–Nonius CAD-4 diffractometer</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.027</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 28.0°, θ<sub>min</sub> = 2.2°</td></tr><tr><td rowspan="1" colspan="1">graphite</td><td rowspan="1" colspan="1"><italic>h</italic> = −17→17</td></tr><tr><td rowspan="1" colspan="1">non–profiled ω scans</td><td rowspan="1" colspan="1"><italic>k</italic> = −21→21</td></tr><tr><td rowspan="1" colspan="1">24086 measured reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −6→24</td></tr><tr><td rowspan="1" colspan="1">17274 independent reflections</td><td rowspan="1" colspan="1">2 standard reflections every 120 min</td></tr><tr><td rowspan="1" colspan="1">8056 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td><td rowspan="1" colspan="1"> intensity decay: 3%</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e391"><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>)] = 0.083</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>) = 0.244</td><td rowspan="1" colspan="1">H atoms treated by a mixture of independent and constrained refinement</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 0.98</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.1366<italic>P</italic>)<sup>2</sup>] 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">17274 reflections</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.035</td></tr><tr><td rowspan="1" colspan="1">493 parameters</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 5.34 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">3 restraints</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −5.31 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="d1e545"><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="d1e644"><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">Re2</td><td rowspan="1" colspan="1">0.81148 (4)</td><td rowspan="1" colspan="1">0.32794 (3)</td><td rowspan="1" colspan="1">0.47046 (3)</td><td rowspan="1" colspan="1">0.05237 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Re1</td><td rowspan="1" colspan="1">0.42492 (4)</td><td rowspan="1" colspan="1">0.26252 (3)</td><td rowspan="1" colspan="1">0.05290 (2)</td><td rowspan="1" colspan="1">0.05389 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Co1</td><td rowspan="1" colspan="1">0.77573 (8)</td><td rowspan="1" colspan="1">0.78259 (7)</td><td rowspan="1" colspan="1">0.30120 (6)</td><td rowspan="1" colspan="1">0.03267 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.9503 (5)</td><td rowspan="1" colspan="1">0.6807 (4)</td><td rowspan="1" colspan="1">0.2371 (4)</td><td rowspan="1" colspan="1">0.0360 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.6819 (5)</td><td rowspan="1" colspan="1">0.6648 (4)</td><td rowspan="1" colspan="1">0.2795 (4)</td><td rowspan="1" colspan="1">0.0373 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.7832 (6)</td><td rowspan="1" colspan="1">0.8921 (5)</td><td rowspan="1" colspan="1">0.1575 (4)</td><td rowspan="1" colspan="1">0.0386 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.8990 (5)</td><td rowspan="1" colspan="1">0.8977 (4)</td><td rowspan="1" colspan="1">0.2982 (4)</td><td rowspan="1" colspan="1">0.0357 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N5</td><td rowspan="1" colspan="1">0.5837 (5)</td><td rowspan="1" colspan="1">0.8693 (5)</td><td rowspan="1" colspan="1">0.3666 (5)</td><td rowspan="1" colspan="1">0.0383 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N6</td><td rowspan="1" colspan="1">0.7463 (5)</td><td rowspan="1" colspan="1">0.7149 (4)</td><td rowspan="1" colspan="1">0.4579 (4)</td><td rowspan="1" colspan="1">0.0353 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.5215 (9)</td><td rowspan="1" colspan="1">0.2398 (7)</td><td rowspan="1" colspan="1">−0.0613 (6)</td><td rowspan="1" colspan="1">0.087 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.4816 (12)</td><td rowspan="1" colspan="1">0.3588 (9)</td><td rowspan="1" colspan="1">0.0815 (7)</td><td rowspan="1" colspan="1">0.119 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.4311 (14)</td><td rowspan="1" colspan="1">0.1461 (8)</td><td rowspan="1" colspan="1">0.1403 (7)</td><td rowspan="1" colspan="1">0.125 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.2576 (10)</td><td rowspan="1" colspan="1">0.2997 (10)</td><td rowspan="1" colspan="1">0.0475 (10)</td><td rowspan="1" colspan="1">0.123 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.8842 (9)</td><td rowspan="1" colspan="1">0.4410 (6)</td><td rowspan="1" colspan="1">0.4074 (8)</td><td rowspan="1" colspan="1">0.089 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.6492 (9)</td><td rowspan="1" colspan="1">0.3431 (8)</td><td rowspan="1" colspan="1">0.4588 (8)</td><td rowspan="1" colspan="1">0.102 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.9060 (11)</td><td rowspan="1" colspan="1">0.2337 (12)</td><td rowspan="1" colspan="1">0.4291 (8)</td><td rowspan="1" colspan="1">0.132 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.7999 (11)</td><td rowspan="1" colspan="1">0.3087 (9)</td><td rowspan="1" colspan="1">0.5966 (6)</td><td rowspan="1" colspan="1">0.113 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">0.6895 (13)</td><td rowspan="1" colspan="1">0.1463 (10)</td><td rowspan="1" colspan="1">0.7811 (8)</td><td rowspan="1" colspan="1">0.118 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H109</td><td rowspan="1" colspan="1">0.69 (2)</td><td rowspan="1" colspan="1">0.180 (17)</td><td rowspan="1" colspan="1">0.721 (4)</td><td rowspan="1" colspan="1">0.230*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H209</td><td rowspan="1" colspan="1">0.622 (12)</td><td rowspan="1" colspan="1">0.166 (14)</td><td rowspan="1" colspan="1">0.828 (8)</td><td rowspan="1" colspan="1">0.153*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">1.0837 (7)</td><td rowspan="1" colspan="1">0.6876 (6)</td><td rowspan="1" colspan="1">0.2185 (6)</td><td rowspan="1" colspan="1">0.0453 (15)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1</td><td rowspan="1" colspan="1">1.1092</td><td rowspan="1" colspan="1">0.7374</td><td rowspan="1" colspan="1">0.2421</td><td rowspan="1" colspan="1">0.054*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">1.1877 (7)</td><td rowspan="1" colspan="1">0.6209 (6)</td><td rowspan="1" colspan="1">0.1635 (6)</td><td rowspan="1" colspan="1">0.0485 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2</td><td rowspan="1" colspan="1">1.2798</td><td rowspan="1" colspan="1">0.6291</td><td rowspan="1" colspan="1">0.1495</td><td rowspan="1" colspan="1">0.058*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">1.1533 (8)</td><td rowspan="1" colspan="1">0.5461 (7)</td><td rowspan="1" colspan="1">0.1318 (7)</td><td rowspan="1" colspan="1">0.0541 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3</td><td rowspan="1" colspan="1">1.2216</td><td rowspan="1" colspan="1">0.5025</td><td rowspan="1" colspan="1">0.0959</td><td rowspan="1" colspan="1">0.065*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">1.0142 (8)</td><td rowspan="1" colspan="1">0.5333 (6)</td><td rowspan="1" colspan="1">0.1528 (6)</td><td rowspan="1" colspan="1">0.0463 (15)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.9697 (9)</td><td rowspan="1" colspan="1">0.4542 (7)</td><td rowspan="1" colspan="1">0.1245 (8)</td><td rowspan="1" colspan="1">0.062 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H5</td><td rowspan="1" colspan="1">1.0338</td><td rowspan="1" colspan="1">0.4069</td><td rowspan="1" colspan="1">0.0904</td><td rowspan="1" colspan="1">0.074*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.8313 (10)</td><td rowspan="1" colspan="1">0.4475 (8)</td><td rowspan="1" colspan="1">0.1478 (9)</td><td rowspan="1" colspan="1">0.070 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6</td><td rowspan="1" colspan="1">0.8038</td><td rowspan="1" colspan="1">0.3948</td><td rowspan="1" colspan="1">0.1291</td><td rowspan="1" colspan="1">0.084*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.7289 (9)</td><td rowspan="1" colspan="1">0.5179 (6)</td><td rowspan="1" colspan="1">0.1990 (6)</td><td rowspan="1" colspan="1">0.0483 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.5883 (10)</td><td rowspan="1" colspan="1">0.5129 (7)</td><td rowspan="1" colspan="1">0.2260 (8)</td><td rowspan="1" colspan="1">0.061 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8</td><td rowspan="1" colspan="1">0.5557</td><td rowspan="1" colspan="1">0.4645</td><td rowspan="1" colspan="1">0.2053</td><td rowspan="1" colspan="1">0.073*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.5006 (9)</td><td rowspan="1" colspan="1">0.5762 (7)</td><td rowspan="1" colspan="1">0.2806 (8)</td><td rowspan="1" colspan="1">0.060 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9</td><td rowspan="1" colspan="1">0.4071</td><td rowspan="1" colspan="1">0.5694</td><td rowspan="1" colspan="1">0.3022</td><td rowspan="1" colspan="1">0.073*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.5501 (7)</td><td rowspan="1" colspan="1">0.6541 (6)</td><td rowspan="1" colspan="1">0.3057 (6)</td><td rowspan="1" colspan="1">0.0476 (16)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H10</td><td rowspan="1" colspan="1">0.4873</td><td rowspan="1" colspan="1">0.6999</td><td rowspan="1" colspan="1">0.3423</td><td rowspan="1" colspan="1">0.057*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.7723 (7)</td><td rowspan="1" colspan="1">0.5954 (5)</td><td rowspan="1" colspan="1">0.2277 (5)</td><td rowspan="1" colspan="1">0.0362 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.9166 (6)</td><td rowspan="1" colspan="1">0.6051 (5)</td><td rowspan="1" colspan="1">0.2043 (5)</td><td rowspan="1" colspan="1">0.0345 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.7240 (8)</td><td rowspan="1" colspan="1">0.8886 (7)</td><td rowspan="1" colspan="1">0.0902 (6)</td><td rowspan="1" colspan="1">0.0498 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13</td><td rowspan="1" colspan="1">0.6849</td><td rowspan="1" colspan="1">0.8275</td><td rowspan="1" colspan="1">0.0987</td><td rowspan="1" colspan="1">0.060*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.7176 (9)</td><td rowspan="1" colspan="1">0.9729 (8)</td><td rowspan="1" colspan="1">0.0066 (6)</td><td rowspan="1" colspan="1">0.060 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14</td><td rowspan="1" colspan="1">0.6715</td><td rowspan="1" colspan="1">0.9689</td><td rowspan="1" colspan="1">−0.0378</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.7792 (9)</td><td rowspan="1" colspan="1">1.0608 (7)</td><td rowspan="1" colspan="1">−0.0092 (6)</td><td rowspan="1" colspan="1">0.060 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15</td><td rowspan="1" colspan="1">0.7780</td><td rowspan="1" colspan="1">1.1167</td><td rowspan="1" colspan="1">−0.0656</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.8444 (8)</td><td rowspan="1" colspan="1">1.0663 (5)</td><td rowspan="1" colspan="1">0.0601 (6)</td><td rowspan="1" colspan="1">0.0474 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.9158 (10)</td><td rowspan="1" colspan="1">1.1552 (7)</td><td rowspan="1" colspan="1">0.0493 (8)</td><td rowspan="1" colspan="1">0.062 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H17</td><td rowspan="1" colspan="1">0.9184</td><td rowspan="1" colspan="1">1.2130</td><td rowspan="1" colspan="1">−0.0062</td><td rowspan="1" colspan="1">0.075*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.9789 (9)</td><td rowspan="1" colspan="1">1.1563 (6)</td><td rowspan="1" colspan="1">0.1182 (8)</td><td rowspan="1" colspan="1">0.063 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18</td><td rowspan="1" colspan="1">1.0231</td><td rowspan="1" colspan="1">1.2148</td><td rowspan="1" colspan="1">0.1098</td><td rowspan="1" colspan="1">0.076*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.9781 (7)</td><td rowspan="1" colspan="1">1.0697 (6)</td><td rowspan="1" colspan="1">0.2024 (7)</td><td rowspan="1" colspan="1">0.0468 (17)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">1.0409 (9)</td><td rowspan="1" colspan="1">1.0668 (7)</td><td rowspan="1" colspan="1">0.2771 (8)</td><td rowspan="1" colspan="1">0.059 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H20</td><td rowspan="1" colspan="1">1.0872</td><td rowspan="1" colspan="1">1.1230</td><td rowspan="1" colspan="1">0.2717</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">1.0327 (8)</td><td rowspan="1" colspan="1">0.9808 (8)</td><td rowspan="1" colspan="1">0.3570 (7)</td><td rowspan="1" colspan="1">0.056 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H21</td><td rowspan="1" colspan="1">1.0757</td><td rowspan="1" colspan="1">0.9774</td><td rowspan="1" colspan="1">0.4056</td><td rowspan="1" colspan="1">0.067*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.9605 (7)</td><td rowspan="1" colspan="1">0.8977 (6)</td><td rowspan="1" colspan="1">0.3669 (6)</td><td rowspan="1" colspan="1">0.0443 (15)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H22</td><td rowspan="1" colspan="1">0.9549</td><td rowspan="1" colspan="1">0.8405</td><td rowspan="1" colspan="1">0.4230</td><td rowspan="1" colspan="1">0.053*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.9084 (6)</td><td rowspan="1" colspan="1">0.9817 (5)</td><td rowspan="1" colspan="1">0.2161 (5)</td><td rowspan="1" colspan="1">0.0373 (13)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.8440 (6)</td><td rowspan="1" colspan="1">0.9794 (5)</td><td rowspan="1" colspan="1">0.1435 (5)</td><td rowspan="1" colspan="1">0.0374 (13)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.5018 (7)</td><td rowspan="1" colspan="1">0.9451 (6)</td><td rowspan="1" colspan="1">0.3215 (6)</td><td rowspan="1" colspan="1">0.0445 (15)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H25</td><td rowspan="1" colspan="1">0.5289</td><td rowspan="1" colspan="1">0.9676</td><td rowspan="1" colspan="1">0.2515</td><td rowspan="1" colspan="1">0.053*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.3778 (8)</td><td rowspan="1" colspan="1">0.9917 (7)</td><td rowspan="1" colspan="1">0.3749 (7)</td><td rowspan="1" colspan="1">0.0548 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H26</td><td rowspan="1" colspan="1">0.3242</td><td rowspan="1" colspan="1">1.0447</td><td rowspan="1" colspan="1">0.3406</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.3352 (7)</td><td rowspan="1" colspan="1">0.9605 (6)</td><td rowspan="1" colspan="1">0.4761 (7)</td><td rowspan="1" colspan="1">0.0524 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H27</td><td rowspan="1" colspan="1">0.2509</td><td rowspan="1" colspan="1">0.9902</td><td rowspan="1" colspan="1">0.5117</td><td rowspan="1" colspan="1">0.063*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.4194 (7)</td><td rowspan="1" colspan="1">0.8820 (6)</td><td rowspan="1" colspan="1">0.5285 (6)</td><td rowspan="1" colspan="1">0.0434 (15)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.3850 (8)</td><td rowspan="1" colspan="1">0.8462 (7)</td><td rowspan="1" colspan="1">0.6356 (6)</td><td rowspan="1" colspan="1">0.0514 (18)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H29</td><td rowspan="1" colspan="1">0.3023</td><td rowspan="1" colspan="1">0.8739</td><td rowspan="1" colspan="1">0.6748</td><td rowspan="1" colspan="1">0.062*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.4710 (8)</td><td rowspan="1" colspan="1">0.7722 (7)</td><td rowspan="1" colspan="1">0.6816 (6)</td><td rowspan="1" colspan="1">0.0528 (18)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H30</td><td rowspan="1" colspan="1">0.4472</td><td rowspan="1" colspan="1">0.7517</td><td rowspan="1" colspan="1">0.7517</td><td rowspan="1" colspan="1">0.063*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.5963 (7)</td><td rowspan="1" colspan="1">0.7258 (6)</td><td rowspan="1" colspan="1">0.6245 (5)</td><td rowspan="1" colspan="1">0.0436 (15)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.6871 (8)</td><td rowspan="1" colspan="1">0.6473 (7)</td><td rowspan="1" colspan="1">0.6673 (6)</td><td rowspan="1" colspan="1">0.0530 (18)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H32</td><td rowspan="1" colspan="1">0.6695</td><td rowspan="1" colspan="1">0.6252</td><td rowspan="1" colspan="1">0.7371</td><td rowspan="1" colspan="1">0.064*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.8045 (9)</td><td rowspan="1" colspan="1">0.6025 (7)</td><td rowspan="1" colspan="1">0.6043 (6)</td><td rowspan="1" colspan="1">0.0548 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H33</td><td rowspan="1" colspan="1">0.8642</td><td rowspan="1" colspan="1">0.5482</td><td rowspan="1" colspan="1">0.6313</td><td rowspan="1" colspan="1">0.066*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.8303 (7)</td><td rowspan="1" colspan="1">0.6406 (6)</td><td rowspan="1" colspan="1">0.5006 (5)</td><td rowspan="1" colspan="1">0.0451 (15)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H34</td><td rowspan="1" colspan="1">0.9105</td><td rowspan="1" colspan="1">0.6125</td><td rowspan="1" colspan="1">0.4590</td><td rowspan="1" colspan="1">0.054*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.6306 (6)</td><td rowspan="1" colspan="1">0.7583 (5)</td><td rowspan="1" colspan="1">0.5182 (5)</td><td rowspan="1" colspan="1">0.0363 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.5425 (6)</td><td rowspan="1" colspan="1">0.8397 (5)</td><td rowspan="1" colspan="1">0.4702 (5)</td><td rowspan="1" colspan="1">0.0359 (12)</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="d1e1657"><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">Re2</td><td rowspan="1" colspan="1">0.0577 (2)</td><td rowspan="1" colspan="1">0.05247 (19)</td><td rowspan="1" colspan="1">0.04822 (18)</td><td rowspan="1" colspan="1">−0.01579 (14)</td><td rowspan="1" colspan="1">−0.01504 (15)</td><td rowspan="1" colspan="1">−0.00749 (14)</td></tr><tr><td rowspan="1" colspan="1">Re1</td><td rowspan="1" colspan="1">0.0644 (2)</td><td rowspan="1" colspan="1">0.0581 (2)</td><td rowspan="1" colspan="1">0.03748 (16)</td><td rowspan="1" colspan="1">−0.00922 (15)</td><td rowspan="1" colspan="1">−0.00999 (14)</td><td rowspan="1" colspan="1">−0.01234 (13)</td></tr><tr><td rowspan="1" colspan="1">Co1</td><td rowspan="1" colspan="1">0.0324 (4)</td><td rowspan="1" colspan="1">0.0366 (4)</td><td rowspan="1" colspan="1">0.0285 (4)</td><td rowspan="1" colspan="1">−0.0069 (3)</td><td rowspan="1" colspan="1">−0.0071 (3)</td><td rowspan="1" colspan="1">−0.0067 (3)</td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.042 (3)</td><td rowspan="1" colspan="1">0.032 (2)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">−0.011 (2)</td><td rowspan="1" colspan="1">−0.008 (2)</td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.039 (3)</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">−0.012 (2)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1">0.044 (3)</td><td rowspan="1" colspan="1">0.033 (3)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">−0.009 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.035 (2)</td><td rowspan="1" colspan="1">0.042 (3)</td><td rowspan="1" colspan="1">0.035 (3)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">−0.012 (2)</td><td rowspan="1" colspan="1">−0.012 (2)</td></tr><tr><td rowspan="1" colspan="1">N5</td><td rowspan="1" colspan="1">0.031 (2)</td><td rowspan="1" colspan="1">0.042 (3)</td><td rowspan="1" colspan="1">0.042 (3)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">−0.012 (2)</td><td rowspan="1" colspan="1">−0.010 (2)</td></tr><tr><td rowspan="1" colspan="1">N6</td><td rowspan="1" colspan="1">0.033 (2)</td><td rowspan="1" colspan="1">0.039 (3)</td><td rowspan="1" colspan="1">0.031 (2)</td><td rowspan="1" colspan="1">−0.007 (2)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.006 (2)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.087 (5)</td><td rowspan="1" colspan="1">0.113 (6)</td><td rowspan="1" colspan="1">0.060 (4)</td><td rowspan="1" colspan="1">0.007 (5)</td><td rowspan="1" colspan="1">−0.019 (4)</td><td rowspan="1" colspan="1">−0.033 (4)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.165 (10)</td><td rowspan="1" colspan="1">0.136 (8)</td><td rowspan="1" colspan="1">0.082 (6)</td><td rowspan="1" colspan="1">−0.086 (7)</td><td rowspan="1" colspan="1">−0.030 (7)</td><td rowspan="1" colspan="1">−0.025 (6)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.219 (13)</td><td rowspan="1" colspan="1">0.079 (6)</td><td rowspan="1" colspan="1">0.077 (6)</td><td rowspan="1" colspan="1">−0.036 (7)</td><td rowspan="1" colspan="1">−0.055 (8)</td><td rowspan="1" colspan="1">0.007 (5)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.071 (5)</td><td rowspan="1" colspan="1">0.132 (9)</td><td rowspan="1" colspan="1">0.166 (11)</td><td rowspan="1" colspan="1">0.012 (6)</td><td rowspan="1" colspan="1">−0.023 (6)</td><td rowspan="1" colspan="1">−0.064 (8)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.087 (5)</td><td rowspan="1" colspan="1">0.063 (4)</td><td rowspan="1" colspan="1">0.113 (7)</td><td rowspan="1" colspan="1">−0.024 (4)</td><td rowspan="1" colspan="1">−0.033 (5)</td><td rowspan="1" colspan="1">0.001 (4)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.088 (6)</td><td rowspan="1" colspan="1">0.115 (7)</td><td rowspan="1" colspan="1">0.126 (8)</td><td rowspan="1" colspan="1">−0.038 (5)</td><td rowspan="1" colspan="1">−0.046 (6)</td><td rowspan="1" colspan="1">−0.027 (6)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.114 (8)</td><td rowspan="1" colspan="1">0.201 (12)</td><td rowspan="1" colspan="1">0.082 (7)</td><td rowspan="1" colspan="1">−0.069 (8)</td><td rowspan="1" colspan="1">−0.021 (6)</td><td rowspan="1" colspan="1">−0.011 (8)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.122 (7)</td><td rowspan="1" colspan="1">0.151 (9)</td><td rowspan="1" colspan="1">0.046 (4)</td><td rowspan="1" colspan="1">0.025 (7)</td><td rowspan="1" colspan="1">−0.025 (5)</td><td rowspan="1" colspan="1">−0.017 (5)</td></tr><tr><td rowspan="1" colspan="1">O9</td><td rowspan="1" colspan="1">0.141 (10)</td><td rowspan="1" colspan="1">0.137 (9)</td><td rowspan="1" colspan="1">0.087 (7)</td><td rowspan="1" colspan="1">−0.011 (8)</td><td rowspan="1" colspan="1">−0.042 (7)</td><td rowspan="1" colspan="1">−0.035 (7)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">0.055 (4)</td><td rowspan="1" colspan="1">0.044 (4)</td><td rowspan="1" colspan="1">−0.008 (3)</td><td rowspan="1" colspan="1">−0.014 (3)</td><td rowspan="1" colspan="1">−0.005 (3)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.037 (3)</td><td rowspan="1" colspan="1">0.054 (4)</td><td rowspan="1" colspan="1">0.046 (4)</td><td rowspan="1" colspan="1">−0.002 (3)</td><td rowspan="1" colspan="1">−0.006 (3)</td><td rowspan="1" colspan="1">−0.007 (3)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.042 (4)</td><td rowspan="1" colspan="1">0.051 (4)</td><td rowspan="1" colspan="1">0.055 (5)</td><td rowspan="1" colspan="1">0.006 (3)</td><td rowspan="1" colspan="1">−0.004 (3)</td><td rowspan="1" colspan="1">−0.010 (4)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.044 (3)</td><td rowspan="1" colspan="1">0.046 (4)</td><td rowspan="1" colspan="1">0.048 (4)</td><td rowspan="1" colspan="1">−0.005 (3)</td><td rowspan="1" colspan="1">−0.010 (3)</td><td rowspan="1" colspan="1">−0.014 (3)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.060 (5)</td><td rowspan="1" colspan="1">0.049 (4)</td><td rowspan="1" colspan="1">0.074 (6)</td><td rowspan="1" colspan="1">0.004 (4)</td><td rowspan="1" colspan="1">−0.009 (4)</td><td rowspan="1" colspan="1">−0.031 (4)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.070 (6)</td><td rowspan="1" colspan="1">0.066 (6)</td><td rowspan="1" colspan="1">0.091 (8)</td><td rowspan="1" colspan="1">−0.003 (5)</td><td rowspan="1" colspan="1">−0.017 (5)</td><td rowspan="1" colspan="1">−0.052 (6)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.054 (4)</td><td rowspan="1" colspan="1">0.046 (4)</td><td rowspan="1" colspan="1">0.048 (4)</td><td rowspan="1" colspan="1">−0.019 (3)</td><td rowspan="1" colspan="1">−0.011 (3)</td><td rowspan="1" colspan="1">−0.010 (3)</td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.063 (5)</td><td rowspan="1" colspan="1">0.059 (5)</td><td rowspan="1" colspan="1">0.071 (6)</td><td rowspan="1" colspan="1">−0.023 (4)</td><td rowspan="1" colspan="1">−0.026 (5)</td><td rowspan="1" colspan="1">−0.014 (4)</td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.047 (4)</td><td rowspan="1" colspan="1">0.059 (5)</td><td rowspan="1" colspan="1">0.079 (6)</td><td rowspan="1" colspan="1">−0.021 (4)</td><td rowspan="1" colspan="1">−0.009 (4)</td><td rowspan="1" colspan="1">−0.022 (5)</td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.039 (3)</td><td rowspan="1" colspan="1">0.055 (4)</td><td rowspan="1" colspan="1">0.049 (4)</td><td rowspan="1" colspan="1">−0.010 (3)</td><td rowspan="1" colspan="1">−0.008 (3)</td><td rowspan="1" colspan="1">−0.012 (3)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">0.034 (3)</td><td rowspan="1" colspan="1">0.038 (3)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">−0.010 (2)</td><td rowspan="1" colspan="1">−0.004 (2)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">0.032 (3)</td><td rowspan="1" colspan="1">0.031 (3)</td><td rowspan="1" colspan="1">−0.002 (2)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">−0.003 (2)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.055 (4)</td><td rowspan="1" colspan="1">0.060 (4)</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">−0.003 (3)</td><td rowspan="1" colspan="1">−0.016 (3)</td><td rowspan="1" colspan="1">−0.013 (3)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.061 (5)</td><td rowspan="1" colspan="1">0.079 (6)</td><td rowspan="1" colspan="1">0.039 (4)</td><td rowspan="1" colspan="1">0.003 (4)</td><td rowspan="1" colspan="1">−0.026 (4)</td><td rowspan="1" colspan="1">−0.008 (4)</td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.067 (5)</td><td rowspan="1" colspan="1">0.060 (5)</td><td rowspan="1" colspan="1">0.034 (4)</td><td rowspan="1" colspan="1">0.002 (4)</td><td rowspan="1" colspan="1">−0.012 (4)</td><td rowspan="1" colspan="1">0.009 (3)</td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.049 (4)</td><td rowspan="1" colspan="1">0.034 (3)</td><td rowspan="1" colspan="1">0.045 (4)</td><td rowspan="1" colspan="1">0.000 (3)</td><td rowspan="1" colspan="1">−0.006 (3)</td><td rowspan="1" colspan="1">0.001 (3)</td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.067 (5)</td><td rowspan="1" colspan="1">0.038 (4)</td><td rowspan="1" colspan="1">0.069 (6)</td><td rowspan="1" colspan="1">−0.010 (3)</td><td rowspan="1" colspan="1">−0.013 (5)</td><td rowspan="1" colspan="1">0.002 (4)</td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.054 (4)</td><td rowspan="1" colspan="1">0.040 (4)</td><td rowspan="1" colspan="1">0.088 (7)</td><td rowspan="1" colspan="1">−0.014 (3)</td><td rowspan="1" colspan="1">−0.007 (5)</td><td rowspan="1" colspan="1">−0.013 (4)</td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">0.041 (3)</td><td rowspan="1" colspan="1">0.061 (5)</td><td rowspan="1" colspan="1">−0.009 (3)</td><td rowspan="1" colspan="1">−0.003 (3)</td><td rowspan="1" colspan="1">−0.018 (3)</td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.049 (4)</td><td rowspan="1" colspan="1">0.057 (5)</td><td rowspan="1" colspan="1">0.077 (6)</td><td rowspan="1" colspan="1">−0.013 (4)</td><td rowspan="1" colspan="1">−0.012 (4)</td><td rowspan="1" colspan="1">−0.027 (5)</td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.041 (4)</td><td rowspan="1" colspan="1">0.074 (5)</td><td rowspan="1" colspan="1">0.067 (5)</td><td rowspan="1" colspan="1">−0.008 (3)</td><td rowspan="1" colspan="1">−0.019 (4)</td><td rowspan="1" colspan="1">−0.036 (5)</td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.040 (3)</td><td rowspan="1" colspan="1">0.054 (4)</td><td rowspan="1" colspan="1">0.045 (4)</td><td rowspan="1" colspan="1">−0.011 (3)</td><td rowspan="1" colspan="1">−0.013 (3)</td><td rowspan="1" colspan="1">−0.017 (3)</td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.027 (2)</td><td rowspan="1" colspan="1">0.036 (3)</td><td rowspan="1" colspan="1">0.044 (3)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">−0.010 (3)</td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.034 (3)</td><td rowspan="1" colspan="1">0.040 (3)</td><td rowspan="1" colspan="1">0.033 (3)</td><td rowspan="1" colspan="1">−0.003 (2)</td><td rowspan="1" colspan="1">−0.006 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.044 (3)</td><td rowspan="1" colspan="1">0.043 (3)</td><td rowspan="1" colspan="1">0.047 (4)</td><td rowspan="1" colspan="1">−0.005 (3)</td><td rowspan="1" colspan="1">−0.019 (3)</td><td rowspan="1" colspan="1">−0.007 (3)</td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.039 (3)</td><td rowspan="1" colspan="1">0.056 (4)</td><td rowspan="1" colspan="1">0.068 (5)</td><td rowspan="1" colspan="1">−0.002 (3)</td><td rowspan="1" colspan="1">−0.018 (4)</td><td rowspan="1" colspan="1">−0.012 (4)</td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.034 (3)</td><td rowspan="1" colspan="1">0.054 (4)</td><td rowspan="1" colspan="1">0.069 (5)</td><td rowspan="1" colspan="1">0.004 (3)</td><td rowspan="1" colspan="1">−0.008 (3)</td><td rowspan="1" colspan="1">−0.028 (4)</td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.037 (3)</td><td rowspan="1" colspan="1">0.049 (4)</td><td rowspan="1" colspan="1">0.045 (4)</td><td rowspan="1" colspan="1">−0.010 (3)</td><td rowspan="1" colspan="1">−0.002 (3)</td><td rowspan="1" colspan="1">−0.019 (3)</td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.045 (4)</td><td rowspan="1" colspan="1">0.066 (5)</td><td rowspan="1" colspan="1">0.045 (4)</td><td rowspan="1" colspan="1">−0.016 (3)</td><td rowspan="1" colspan="1">0.002 (3)</td><td rowspan="1" colspan="1">−0.026 (4)</td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.051 (4)</td><td rowspan="1" colspan="1">0.070 (5)</td><td rowspan="1" colspan="1">0.035 (3)</td><td rowspan="1" colspan="1">−0.015 (4)</td><td rowspan="1" colspan="1">0.000 (3)</td><td rowspan="1" colspan="1">−0.019 (3)</td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.043 (3)</td><td rowspan="1" colspan="1">0.061 (4)</td><td rowspan="1" colspan="1">0.028 (3)</td><td rowspan="1" colspan="1">−0.018 (3)</td><td rowspan="1" colspan="1">−0.003 (3)</td><td rowspan="1" colspan="1">−0.012 (3)</td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.052 (4)</td><td rowspan="1" colspan="1">0.070 (5)</td><td rowspan="1" colspan="1">0.030 (3)</td><td rowspan="1" colspan="1">−0.022 (4)</td><td rowspan="1" colspan="1">−0.006 (3)</td><td rowspan="1" colspan="1">0.001 (3)</td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.053 (4)</td><td rowspan="1" colspan="1">0.056 (4)</td><td rowspan="1" colspan="1">0.047 (4)</td><td rowspan="1" colspan="1">−0.011 (3)</td><td rowspan="1" colspan="1">−0.020 (4)</td><td rowspan="1" colspan="1">0.011 (3)</td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.044 (3)</td><td rowspan="1" colspan="1">0.052 (4)</td><td rowspan="1" colspan="1">0.034 (3)</td><td rowspan="1" colspan="1">−0.005 (3)</td><td rowspan="1" colspan="1">−0.010 (3)</td><td rowspan="1" colspan="1">−0.003 (3)</td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.031 (3)</td><td rowspan="1" colspan="1">0.044 (3)</td><td rowspan="1" colspan="1">0.032 (3)</td><td rowspan="1" colspan="1">−0.012 (2)</td><td rowspan="1" colspan="1">−0.005 (2)</td><td rowspan="1" colspan="1">−0.004 (2)</td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.031 (3)</td><td rowspan="1" colspan="1">0.042 (3)</td><td rowspan="1" colspan="1">0.038 (3)</td><td rowspan="1" colspan="1">−0.008 (2)</td><td rowspan="1" colspan="1">−0.009 (2)</td><td rowspan="1" colspan="1">−0.012 (3)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, °)</title><table-wrap position="anchor" id="d1e2804"><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">Re2—O7</td><td rowspan="1" colspan="1">1.549 (15)</td><td rowspan="1" colspan="1">C9—C10</td><td rowspan="1" colspan="1">1.407 (11)</td></tr><tr><td rowspan="1" colspan="1">Re2—O5</td><td rowspan="1" colspan="1">1.685 (8)</td><td rowspan="1" colspan="1">C9—H9</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Re2—O6</td><td rowspan="1" colspan="1">1.708 (8)</td><td rowspan="1" colspan="1">C10—H10</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Re2—O8</td><td rowspan="1" colspan="1">1.728 (8)</td><td rowspan="1" colspan="1">C11—C12</td><td rowspan="1" colspan="1">1.445 (9)</td></tr><tr><td rowspan="1" colspan="1">Re1—O3</td><td rowspan="1" colspan="1">1.688 (9)</td><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.395 (11)</td></tr><tr><td rowspan="1" colspan="1">Re1—O2</td><td rowspan="1" colspan="1">1.691 (9)</td><td rowspan="1" colspan="1">C13—H13</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Re1—O1</td><td rowspan="1" colspan="1">1.700 (7)</td><td rowspan="1" colspan="1">C14—C15</td><td rowspan="1" colspan="1">1.357 (14)</td></tr><tr><td rowspan="1" colspan="1">Re1—O4</td><td rowspan="1" colspan="1">1.724 (10)</td><td rowspan="1" colspan="1">C14—H14</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Co1—N6</td><td rowspan="1" colspan="1">2.122 (5)</td><td rowspan="1" colspan="1">C15—C16</td><td rowspan="1" colspan="1">1.397 (13)</td></tr><tr><td rowspan="1" colspan="1">Co1—N2</td><td rowspan="1" colspan="1">2.122 (5)</td><td rowspan="1" colspan="1">C15—H15</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Co1—N1</td><td rowspan="1" colspan="1">2.136 (5)</td><td rowspan="1" colspan="1">C16—C24</td><td rowspan="1" colspan="1">1.403 (9)</td></tr><tr><td rowspan="1" colspan="1">Co1—N4</td><td rowspan="1" colspan="1">2.147 (5)</td><td rowspan="1" colspan="1">C16—C17</td><td rowspan="1" colspan="1">1.450 (12)</td></tr><tr><td rowspan="1" colspan="1">Co1—N3</td><td rowspan="1" colspan="1">2.148 (6)</td><td rowspan="1" colspan="1">C17—C18</td><td rowspan="1" colspan="1">1.357 (15)</td></tr><tr><td rowspan="1" colspan="1">Co1—N5</td><td rowspan="1" colspan="1">2.151 (6)</td><td rowspan="1" colspan="1">C17—H17</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N1—C1</td><td rowspan="1" colspan="1">1.336 (8)</td><td rowspan="1" colspan="1">C18—C19</td><td rowspan="1" colspan="1">1.407 (12)</td></tr><tr><td rowspan="1" colspan="1">N1—C12</td><td rowspan="1" colspan="1">1.356 (8)</td><td rowspan="1" colspan="1">C18—H18</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2—C10</td><td rowspan="1" colspan="1">1.318 (8)</td><td rowspan="1" colspan="1">C19—C20</td><td rowspan="1" colspan="1">1.414 (13)</td></tr><tr><td rowspan="1" colspan="1">N2—C11</td><td rowspan="1" colspan="1">1.362 (8)</td><td rowspan="1" colspan="1">C19—C23</td><td rowspan="1" colspan="1">1.417 (9)</td></tr><tr><td rowspan="1" colspan="1">N3—C13</td><td rowspan="1" colspan="1">1.317 (9)</td><td rowspan="1" colspan="1">C20—C21</td><td rowspan="1" colspan="1">1.359 (14)</td></tr><tr><td rowspan="1" colspan="1">N3—C24</td><td rowspan="1" colspan="1">1.352 (9)</td><td rowspan="1" colspan="1">C20—H20</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N4—C22</td><td rowspan="1" colspan="1">1.337 (9)</td><td rowspan="1" colspan="1">C21—C22</td><td rowspan="1" colspan="1">1.392 (11)</td></tr><tr><td rowspan="1" colspan="1">N4—C23</td><td rowspan="1" colspan="1">1.362 (9)</td><td rowspan="1" colspan="1">C21—H21</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N5—C25</td><td rowspan="1" colspan="1">1.336 (9)</td><td rowspan="1" colspan="1">C22—H22</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N5—C36</td><td rowspan="1" colspan="1">1.373 (9)</td><td rowspan="1" colspan="1">C23—C24</td><td rowspan="1" colspan="1">1.418 (10)</td></tr><tr><td rowspan="1" colspan="1">N6—C34</td><td rowspan="1" colspan="1">1.324 (9)</td><td rowspan="1" colspan="1">C25—C26</td><td rowspan="1" colspan="1">1.389 (11)</td></tr><tr><td rowspan="1" colspan="1">N6—C35</td><td rowspan="1" colspan="1">1.360 (8)</td><td rowspan="1" colspan="1">C25—H25</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O9—H109</td><td rowspan="1" colspan="1">0.85 (10)</td><td rowspan="1" colspan="1">C26—C27</td><td rowspan="1" colspan="1">1.342 (13)</td></tr><tr><td rowspan="1" colspan="1">O9—H209</td><td rowspan="1" colspan="1">0.86 (14)</td><td rowspan="1" colspan="1">C26—H26</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C1—C2</td><td rowspan="1" colspan="1">1.422 (11)</td><td rowspan="1" colspan="1">C27—C28</td><td rowspan="1" colspan="1">1.420 (11)</td></tr><tr><td rowspan="1" colspan="1">C1—H1</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C27—H27</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C2—C3</td><td rowspan="1" colspan="1">1.341 (12)</td><td rowspan="1" colspan="1">C28—C36</td><td rowspan="1" colspan="1">1.388 (9)</td></tr><tr><td rowspan="1" colspan="1">C2—H2</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C28—C29</td><td rowspan="1" colspan="1">1.424 (11)</td></tr><tr><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.407 (11)</td><td rowspan="1" colspan="1">C29—C30</td><td rowspan="1" colspan="1">1.358 (13)</td></tr><tr><td rowspan="1" colspan="1">C3—H3</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C29—H29</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C4—C12</td><td rowspan="1" colspan="1">1.411 (9)</td><td rowspan="1" colspan="1">C30—C31</td><td rowspan="1" colspan="1">1.418 (10)</td></tr><tr><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.417 (12)</td><td rowspan="1" colspan="1">C30—H30</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C5—C6</td><td rowspan="1" colspan="1">1.378 (13)</td><td rowspan="1" colspan="1">C31—C32</td><td rowspan="1" colspan="1">1.398 (11)</td></tr><tr><td rowspan="1" colspan="1">C5—H5</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C31—C35</td><td rowspan="1" colspan="1">1.410 (9)</td></tr><tr><td rowspan="1" colspan="1">C6—C7</td><td rowspan="1" colspan="1">1.418 (12)</td><td rowspan="1" colspan="1">C32—C33</td><td rowspan="1" colspan="1">1.397 (12)</td></tr><tr><td rowspan="1" colspan="1">C6—H6</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C32—H32</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C7—C8</td><td rowspan="1" colspan="1">1.390 (12)</td><td rowspan="1" colspan="1">C33—C34</td><td rowspan="1" colspan="1">1.386 (10)</td></tr><tr><td rowspan="1" colspan="1">C7—C11</td><td rowspan="1" colspan="1">1.396 (9)</td><td rowspan="1" colspan="1">C33—H33</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C8—C9</td><td rowspan="1" colspan="1">1.319 (13)</td><td rowspan="1" colspan="1">C34—H34</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C8—H8</td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">C35—C36</td><td rowspan="1" colspan="1">1.432 (9)</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">O7—Re2—O5</td><td rowspan="1" colspan="1">108.3 (5)</td><td rowspan="1" colspan="1">N2—C11—C12</td><td rowspan="1" colspan="1">116.7 (6)</td></tr><tr><td rowspan="1" colspan="1">O7—Re2—O6</td><td rowspan="1" colspan="1">113.2 (5)</td><td rowspan="1" colspan="1">C7—C11—C12</td><td rowspan="1" colspan="1">121.2 (6)</td></tr><tr><td rowspan="1" colspan="1">O5—Re2—O6</td><td rowspan="1" colspan="1">109.3 (5)</td><td rowspan="1" colspan="1">N1—C12—C4</td><td rowspan="1" colspan="1">123.8 (6)</td></tr><tr><td rowspan="1" colspan="1">O7—Re2—O8</td><td rowspan="1" colspan="1">109.7 (5)</td><td rowspan="1" colspan="1">N1—C12—C11</td><td rowspan="1" colspan="1">117.5 (5)</td></tr><tr><td rowspan="1" colspan="1">O5—Re2—O8</td><td rowspan="1" colspan="1">107.7 (6)</td><td rowspan="1" colspan="1">C4—C12—C11</td><td rowspan="1" colspan="1">118.7 (6)</td></tr><tr><td rowspan="1" colspan="1">O6—Re2—O8</td><td rowspan="1" colspan="1">108.5 (5)</td><td rowspan="1" colspan="1">N3—C13—C14</td><td rowspan="1" colspan="1">122.7 (8)</td></tr><tr><td rowspan="1" colspan="1">O3—Re1—O2</td><td rowspan="1" colspan="1">111.0 (5)</td><td rowspan="1" colspan="1">N3—C13—H13</td><td rowspan="1" colspan="1">118.7</td></tr><tr><td rowspan="1" colspan="1">O3—Re1—O1</td><td rowspan="1" colspan="1">107.9 (5)</td><td rowspan="1" colspan="1">C14—C13—H13</td><td rowspan="1" colspan="1">118.7</td></tr><tr><td rowspan="1" colspan="1">O2—Re1—O1</td><td rowspan="1" colspan="1">111.5 (5)</td><td rowspan="1" colspan="1">C15—C14—C13</td><td rowspan="1" colspan="1">119.4 (8)</td></tr><tr><td rowspan="1" colspan="1">O3—Re1—O4</td><td rowspan="1" colspan="1">108.4 (6)</td><td rowspan="1" colspan="1">C15—C14—H14</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">O2—Re1—O4</td><td rowspan="1" colspan="1">110.6 (6)</td><td rowspan="1" colspan="1">C13—C14—H14</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">O1—Re1—O4</td><td rowspan="1" colspan="1">107.4 (5)</td><td rowspan="1" colspan="1">C14—C15—C16</td><td rowspan="1" colspan="1">119.3 (7)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N2</td><td rowspan="1" colspan="1">94.4 (2)</td><td rowspan="1" colspan="1">C14—C15—H15</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N1</td><td rowspan="1" colspan="1">101.4 (2)</td><td rowspan="1" colspan="1">C16—C15—H15</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N1</td><td rowspan="1" colspan="1">78.1 (2)</td><td rowspan="1" colspan="1">C15—C16—C24</td><td rowspan="1" colspan="1">118.1 (7)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N4</td><td rowspan="1" colspan="1">93.0 (2)</td><td rowspan="1" colspan="1">C15—C16—C17</td><td rowspan="1" colspan="1">123.8 (8)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N4</td><td rowspan="1" colspan="1">169.5 (2)</td><td rowspan="1" colspan="1">C24—C16—C17</td><td rowspan="1" colspan="1">118.1 (8)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N4</td><td rowspan="1" colspan="1">93.2 (2)</td><td rowspan="1" colspan="1">C18—C17—C16</td><td rowspan="1" colspan="1">121.6 (8)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N3</td><td rowspan="1" colspan="1">163.7 (2)</td><td rowspan="1" colspan="1">C18—C17—H17</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N3</td><td rowspan="1" colspan="1">96.8 (2)</td><td rowspan="1" colspan="1">C16—C17—H17</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N3</td><td rowspan="1" colspan="1">92.5 (2)</td><td rowspan="1" colspan="1">C17—C18—C19</td><td rowspan="1" colspan="1">120.6 (8)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N3</td><td rowspan="1" colspan="1">77.5 (2)</td><td rowspan="1" colspan="1">C17—C18—H18</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N5</td><td rowspan="1" colspan="1">78.0 (2)</td><td rowspan="1" colspan="1">C19—C18—H18</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N5</td><td rowspan="1" colspan="1">94.3 (2)</td><td rowspan="1" colspan="1">C18—C19—C20</td><td rowspan="1" colspan="1">123.1 (7)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N5</td><td rowspan="1" colspan="1">172.3 (2)</td><td rowspan="1" colspan="1">C18—C19—C23</td><td rowspan="1" colspan="1">119.6 (8)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N5</td><td rowspan="1" colspan="1">94.5 (2)</td><td rowspan="1" colspan="1">C20—C19—C23</td><td rowspan="1" colspan="1">117.3 (8)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N5</td><td rowspan="1" colspan="1">89.4 (2)</td><td rowspan="1" colspan="1">C21—C20—C19</td><td rowspan="1" colspan="1">119.1 (7)</td></tr><tr><td rowspan="1" colspan="1">C1—N1—C12</td><td rowspan="1" colspan="1">117.7 (6)</td><td rowspan="1" colspan="1">C21—C20—H20</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C1—N1—Co1</td><td rowspan="1" colspan="1">129.0 (5)</td><td rowspan="1" colspan="1">C19—C20—H20</td><td rowspan="1" colspan="1">120.5</td></tr><tr><td rowspan="1" colspan="1">C12—N1—Co1</td><td rowspan="1" colspan="1">113.1 (4)</td><td rowspan="1" colspan="1">C20—C21—C22</td><td rowspan="1" colspan="1">120.7 (8)</td></tr><tr><td rowspan="1" colspan="1">C10—N2—C11</td><td rowspan="1" colspan="1">117.6 (6)</td><td rowspan="1" colspan="1">C20—C21—H21</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C10—N2—Co1</td><td rowspan="1" colspan="1">128.5 (5)</td><td rowspan="1" colspan="1">C22—C21—H21</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">C11—N2—Co1</td><td rowspan="1" colspan="1">113.8 (4)</td><td rowspan="1" colspan="1">N4—C22—C21</td><td rowspan="1" colspan="1">122.1 (8)</td></tr><tr><td rowspan="1" colspan="1">C13—N3—C24</td><td rowspan="1" colspan="1">118.8 (6)</td><td rowspan="1" colspan="1">N4—C22—H22</td><td rowspan="1" colspan="1">119.0</td></tr><tr><td rowspan="1" colspan="1">C13—N3—Co1</td><td rowspan="1" colspan="1">127.8 (5)</td><td rowspan="1" colspan="1">C21—C22—H22</td><td rowspan="1" colspan="1">119.0</td></tr><tr><td rowspan="1" colspan="1">C24—N3—Co1</td><td rowspan="1" colspan="1">113.0 (4)</td><td rowspan="1" colspan="1">N4—C23—C19</td><td rowspan="1" colspan="1">122.3 (7)</td></tr><tr><td rowspan="1" colspan="1">C22—N4—C23</td><td rowspan="1" colspan="1">118.5 (6)</td><td rowspan="1" colspan="1">N4—C23—C24</td><td rowspan="1" colspan="1">117.6 (6)</td></tr><tr><td rowspan="1" colspan="1">C22—N4—Co1</td><td rowspan="1" colspan="1">128.4 (5)</td><td rowspan="1" colspan="1">C19—C23—C24</td><td rowspan="1" colspan="1">120.1 (7)</td></tr><tr><td rowspan="1" colspan="1">C23—N4—Co1</td><td rowspan="1" colspan="1">113.1 (4)</td><td rowspan="1" colspan="1">N3—C24—C16</td><td rowspan="1" colspan="1">121.7 (7)</td></tr><tr><td rowspan="1" colspan="1">C25—N5—C36</td><td rowspan="1" colspan="1">117.2 (6)</td><td rowspan="1" colspan="1">N3—C24—C23</td><td rowspan="1" colspan="1">118.2 (6)</td></tr><tr><td rowspan="1" colspan="1">C25—N5—Co1</td><td rowspan="1" colspan="1">129.7 (5)</td><td rowspan="1" colspan="1">C16—C24—C23</td><td rowspan="1" colspan="1">120.1 (7)</td></tr><tr><td rowspan="1" colspan="1">C36—N5—Co1</td><td rowspan="1" colspan="1">113.1 (4)</td><td rowspan="1" colspan="1">N5—C25—C26</td><td rowspan="1" colspan="1">122.8 (8)</td></tr><tr><td rowspan="1" colspan="1">C34—N6—C35</td><td rowspan="1" colspan="1">118.8 (6)</td><td rowspan="1" colspan="1">N5—C25—H25</td><td rowspan="1" colspan="1">118.6</td></tr><tr><td rowspan="1" colspan="1">C34—N6—Co1</td><td rowspan="1" colspan="1">127.0 (5)</td><td rowspan="1" colspan="1">C26—C25—H25</td><td rowspan="1" colspan="1">118.6</td></tr><tr><td rowspan="1" colspan="1">C35—N6—Co1</td><td rowspan="1" colspan="1">114.2 (4)</td><td rowspan="1" colspan="1">C27—C26—C25</td><td rowspan="1" colspan="1">120.1 (8)</td></tr><tr><td rowspan="1" colspan="1">H109—O9—H209</td><td rowspan="1" colspan="1">116 (16)</td><td rowspan="1" colspan="1">C27—C26—H26</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">N1—C1—C2</td><td rowspan="1" colspan="1">121.7 (7)</td><td rowspan="1" colspan="1">C25—C26—H26</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">N1—C1—H1</td><td rowspan="1" colspan="1">119.1</td><td rowspan="1" colspan="1">C26—C27—C28</td><td rowspan="1" colspan="1">119.7 (7)</td></tr><tr><td rowspan="1" colspan="1">C2—C1—H1</td><td rowspan="1" colspan="1">119.1</td><td rowspan="1" colspan="1">C26—C27—H27</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C3—C2—C1</td><td rowspan="1" colspan="1">120.1 (7)</td><td rowspan="1" colspan="1">C28—C27—H27</td><td rowspan="1" colspan="1">120.1</td></tr><tr><td rowspan="1" colspan="1">C3—C2—H2</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C36—C28—C27</td><td rowspan="1" colspan="1">117.0 (7)</td></tr><tr><td rowspan="1" colspan="1">C1—C2—H2</td><td rowspan="1" colspan="1">120.0</td><td rowspan="1" colspan="1">C36—C28—C29</td><td rowspan="1" colspan="1">119.2 (7)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4</td><td rowspan="1" colspan="1">120.2 (7)</td><td rowspan="1" colspan="1">C27—C28—C29</td><td rowspan="1" colspan="1">123.9 (7)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—H3</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C30—C29—C28</td><td rowspan="1" colspan="1">121.2 (7)</td></tr><tr><td rowspan="1" colspan="1">C4—C3—H3</td><td rowspan="1" colspan="1">119.9</td><td rowspan="1" colspan="1">C30—C29—H29</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C12</td><td rowspan="1" colspan="1">116.5 (7)</td><td rowspan="1" colspan="1">C28—C29—H29</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5</td><td rowspan="1" colspan="1">123.6 (7)</td><td rowspan="1" colspan="1">C29—C30—C31</td><td rowspan="1" colspan="1">121.1 (7)</td></tr><tr><td rowspan="1" colspan="1">C12—C4—C5</td><td rowspan="1" colspan="1">120.0 (7)</td><td rowspan="1" colspan="1">C29—C30—H30</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C6—C5—C4</td><td rowspan="1" colspan="1">119.8 (7)</td><td rowspan="1" colspan="1">C31—C30—H30</td><td rowspan="1" colspan="1">119.4</td></tr><tr><td rowspan="1" colspan="1">C6—C5—H5</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C32—C31—C35</td><td rowspan="1" colspan="1">117.7 (7)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—H5</td><td rowspan="1" colspan="1">120.1</td><td rowspan="1" colspan="1">C32—C31—C30</td><td rowspan="1" colspan="1">123.8 (7)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7</td><td rowspan="1" colspan="1">122.6 (8)</td><td rowspan="1" colspan="1">C35—C31—C30</td><td rowspan="1" colspan="1">118.5 (7)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—H6</td><td rowspan="1" colspan="1">118.7</td><td rowspan="1" colspan="1">C33—C32—C31</td><td rowspan="1" colspan="1">119.4 (7)</td></tr><tr><td rowspan="1" colspan="1">C7—C6—H6</td><td rowspan="1" colspan="1">118.7</td><td rowspan="1" colspan="1">C33—C32—H32</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C11</td><td rowspan="1" colspan="1">117.4 (8)</td><td rowspan="1" colspan="1">C31—C32—H32</td><td rowspan="1" colspan="1">120.3</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C6</td><td rowspan="1" colspan="1">124.7 (8)</td><td rowspan="1" colspan="1">C34—C33—C32</td><td rowspan="1" colspan="1">118.7 (7)</td></tr><tr><td rowspan="1" colspan="1">C11—C7—C6</td><td rowspan="1" colspan="1">117.8 (7)</td><td rowspan="1" colspan="1">C34—C33—H33</td><td rowspan="1" colspan="1">120.6</td></tr><tr><td rowspan="1" colspan="1">C9—C8—C7</td><td rowspan="1" colspan="1">120.7 (8)</td><td rowspan="1" colspan="1">C32—C33—H33</td><td rowspan="1" colspan="1">120.6</td></tr><tr><td rowspan="1" colspan="1">C9—C8—H8</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">N6—C34—C33</td><td rowspan="1" colspan="1">123.2 (7)</td></tr><tr><td rowspan="1" colspan="1">C7—C8—H8</td><td rowspan="1" colspan="1">119.6</td><td rowspan="1" colspan="1">N6—C34—H34</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">C8—C9—C10</td><td rowspan="1" colspan="1">119.2 (8)</td><td rowspan="1" colspan="1">C33—C34—H34</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">C8—C9—H9</td><td rowspan="1" colspan="1">120.4</td><td rowspan="1" colspan="1">N6—C35—C31</td><td rowspan="1" colspan="1">122.2 (6)</td></tr><tr><td rowspan="1" colspan="1">C10—C9—H9</td><td rowspan="1" colspan="1">120.4</td><td rowspan="1" colspan="1">N6—C35—C36</td><td rowspan="1" colspan="1">117.7 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—C10—C9</td><td rowspan="1" colspan="1">122.7 (8)</td><td rowspan="1" colspan="1">C31—C35—C36</td><td rowspan="1" colspan="1">120.1 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—C10—H10</td><td rowspan="1" colspan="1">118.7</td><td rowspan="1" colspan="1">N5—C36—C28</td><td rowspan="1" colspan="1">123.2 (6)</td></tr><tr><td rowspan="1" colspan="1">C9—C10—H10</td><td rowspan="1" colspan="1">118.7</td><td rowspan="1" colspan="1">N5—C36—C35</td><td rowspan="1" colspan="1">117.0 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—C11—C7</td><td rowspan="1" colspan="1">122.1 (6)</td><td rowspan="1" colspan="1">C28—C36—C35</td><td rowspan="1" colspan="1">119.8 (6)</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">N6—Co1—N1—C1</td><td rowspan="1" colspan="1">−86.0 (6)</td><td rowspan="1" colspan="1">Co1—N1—C12—C4</td><td rowspan="1" colspan="1">175.3 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N1—C1</td><td rowspan="1" colspan="1">−178.2 (6)</td><td rowspan="1" colspan="1">C1—N1—C12—C11</td><td rowspan="1" colspan="1">177.9 (6)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N1—C1</td><td rowspan="1" colspan="1">7.8 (6)</td><td rowspan="1" colspan="1">Co1—N1—C12—C11</td><td rowspan="1" colspan="1">−7.4 (7)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N1—C1</td><td rowspan="1" colspan="1">85.4 (6)</td><td rowspan="1" colspan="1">C3—C4—C12—N1</td><td rowspan="1" colspan="1">−2.7 (11)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N1—C1</td><td rowspan="1" colspan="1">−170.6 (15)</td><td rowspan="1" colspan="1">C5—C4—C12—N1</td><td rowspan="1" colspan="1">177.6 (7)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N1—C12</td><td rowspan="1" colspan="1">100.1 (4)</td><td rowspan="1" colspan="1">C3—C4—C12—C11</td><td rowspan="1" colspan="1">−179.9 (7)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N1—C12</td><td rowspan="1" colspan="1">7.9 (4)</td><td rowspan="1" colspan="1">C5—C4—C12—C11</td><td rowspan="1" colspan="1">0.4 (11)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N1—C12</td><td rowspan="1" colspan="1">−166.2 (4)</td><td rowspan="1" colspan="1">N2—C11—C12—N1</td><td rowspan="1" colspan="1">1.2 (9)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N1—C12</td><td rowspan="1" colspan="1">−88.6 (4)</td><td rowspan="1" colspan="1">C7—C11—C12—N1</td><td rowspan="1" colspan="1">−178.3 (6)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N1—C12</td><td rowspan="1" colspan="1">15.5 (19)</td><td rowspan="1" colspan="1">N2—C11—C12—C4</td><td rowspan="1" colspan="1">178.6 (6)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N2—C10</td><td rowspan="1" colspan="1">75.1 (7)</td><td rowspan="1" colspan="1">C7—C11—C12—C4</td><td rowspan="1" colspan="1">−0.9 (10)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N2—C10</td><td rowspan="1" colspan="1">175.8 (7)</td><td rowspan="1" colspan="1">C24—N3—C13—C14</td><td rowspan="1" colspan="1">−2.1 (11)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N2—C10</td><td rowspan="1" colspan="1">−149.6 (11)</td><td rowspan="1" colspan="1">Co1—N3—C13—C14</td><td rowspan="1" colspan="1">169.5 (6)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N2—C10</td><td rowspan="1" colspan="1">−93.0 (7)</td><td rowspan="1" colspan="1">N3—C13—C14—C15</td><td rowspan="1" colspan="1">2.8 (13)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N2—C10</td><td rowspan="1" colspan="1">−3.2 (7)</td><td rowspan="1" colspan="1">C13—C14—C15—C16</td><td rowspan="1" colspan="1">−1.8 (13)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N2—C11</td><td rowspan="1" colspan="1">−108.0 (5)</td><td rowspan="1" colspan="1">C14—C15—C16—C24</td><td rowspan="1" colspan="1">0.4 (12)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N2—C11</td><td rowspan="1" colspan="1">−7.3 (5)</td><td rowspan="1" colspan="1">C14—C15—C16—C17</td><td rowspan="1" colspan="1">178.6 (8)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N2—C11</td><td rowspan="1" colspan="1">27.3 (14)</td><td rowspan="1" colspan="1">C15—C16—C17—C18</td><td rowspan="1" colspan="1">−179.3 (9)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N2—C11</td><td rowspan="1" colspan="1">83.8 (5)</td><td rowspan="1" colspan="1">C24—C16—C17—C18</td><td rowspan="1" colspan="1">−1.1 (13)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N2—C11</td><td rowspan="1" colspan="1">173.7 (5)</td><td rowspan="1" colspan="1">C16—C17—C18—C19</td><td rowspan="1" colspan="1">0.7 (14)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N3—C13</td><td rowspan="1" colspan="1">−123.2 (8)</td><td rowspan="1" colspan="1">C17—C18—C19—C20</td><td rowspan="1" colspan="1">−179.4 (9)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N3—C13</td><td rowspan="1" colspan="1">10.0 (6)</td><td rowspan="1" colspan="1">C17—C18—C19—C23</td><td rowspan="1" colspan="1">−1.2 (12)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N3—C13</td><td rowspan="1" colspan="1">88.3 (6)</td><td rowspan="1" colspan="1">C18—C19—C20—C21</td><td rowspan="1" colspan="1">178.7 (8)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N3—C13</td><td rowspan="1" colspan="1">−179.0 (6)</td><td rowspan="1" colspan="1">C23—C19—C20—C21</td><td rowspan="1" colspan="1">0.5 (11)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N3—C13</td><td rowspan="1" colspan="1">−84.2 (6)</td><td rowspan="1" colspan="1">C19—C20—C21—C22</td><td rowspan="1" colspan="1">−1.6 (12)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N3—C24</td><td rowspan="1" colspan="1">48.9 (9)</td><td rowspan="1" colspan="1">C23—N4—C22—C21</td><td rowspan="1" colspan="1">0.3 (10)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N3—C24</td><td rowspan="1" colspan="1">−177.9 (4)</td><td rowspan="1" colspan="1">Co1—N4—C22—C21</td><td rowspan="1" colspan="1">−177.0 (5)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N3—C24</td><td rowspan="1" colspan="1">−99.6 (5)</td><td rowspan="1" colspan="1">C20—C21—C22—N4</td><td rowspan="1" colspan="1">1.3 (12)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N3—C24</td><td rowspan="1" colspan="1">−6.9 (4)</td><td rowspan="1" colspan="1">C22—N4—C23—C19</td><td rowspan="1" colspan="1">−1.5 (9)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N3—C24</td><td rowspan="1" colspan="1">87.8 (5)</td><td rowspan="1" colspan="1">Co1—N4—C23—C19</td><td rowspan="1" colspan="1">176.2 (5)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N4—C22</td><td rowspan="1" colspan="1">16.2 (6)</td><td rowspan="1" colspan="1">C22—N4—C23—C24</td><td rowspan="1" colspan="1">179.2 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N4—C22</td><td rowspan="1" colspan="1">−119.2 (12)</td><td rowspan="1" colspan="1">Co1—N4—C23—C24</td><td rowspan="1" colspan="1">−3.1 (7)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N4—C22</td><td rowspan="1" colspan="1">−85.4 (6)</td><td rowspan="1" colspan="1">C18—C19—C23—N4</td><td rowspan="1" colspan="1">−177.2 (7)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N4—C22</td><td rowspan="1" colspan="1">−177.2 (6)</td><td rowspan="1" colspan="1">C20—C19—C23—N4</td><td rowspan="1" colspan="1">1.1 (10)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N4—C22</td><td rowspan="1" colspan="1">94.4 (6)</td><td rowspan="1" colspan="1">C18—C19—C23—C24</td><td rowspan="1" colspan="1">2.2 (10)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N4—C23</td><td rowspan="1" colspan="1">−161.2 (4)</td><td rowspan="1" colspan="1">C20—C19—C23—C24</td><td rowspan="1" colspan="1">−179.6 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N4—C23</td><td rowspan="1" colspan="1">63.4 (13)</td><td rowspan="1" colspan="1">C13—N3—C24—C16</td><td rowspan="1" colspan="1">0.6 (10)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N4—C23</td><td rowspan="1" colspan="1">97.2 (4)</td><td rowspan="1" colspan="1">Co1—N3—C24—C16</td><td rowspan="1" colspan="1">−172.2 (5)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N4—C23</td><td rowspan="1" colspan="1">5.3 (4)</td><td rowspan="1" colspan="1">C13—N3—C24—C23</td><td rowspan="1" colspan="1">−179.5 (6)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N4—C23</td><td rowspan="1" colspan="1">−83.0 (4)</td><td rowspan="1" colspan="1">Co1—N3—C24—C23</td><td rowspan="1" colspan="1">7.7 (7)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N5—C25</td><td rowspan="1" colspan="1">−179.1 (6)</td><td rowspan="1" colspan="1">C15—C16—C24—N3</td><td rowspan="1" colspan="1">0.2 (11)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N5—C25</td><td rowspan="1" colspan="1">−85.5 (6)</td><td rowspan="1" colspan="1">C17—C16—C24—N3</td><td rowspan="1" colspan="1">−178.1 (7)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N5—C25</td><td rowspan="1" colspan="1">−93.0 (18)</td><td rowspan="1" colspan="1">C15—C16—C24—C23</td><td rowspan="1" colspan="1">−179.7 (7)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N5—C25</td><td rowspan="1" colspan="1">88.7 (6)</td><td rowspan="1" colspan="1">C17—C16—C24—C23</td><td rowspan="1" colspan="1">2.0 (10)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N5—C25</td><td rowspan="1" colspan="1">11.3 (6)</td><td rowspan="1" colspan="1">N4—C23—C24—N3</td><td rowspan="1" colspan="1">−3.1 (9)</td></tr><tr><td rowspan="1" colspan="1">N6—Co1—N5—C36</td><td rowspan="1" colspan="1">0.7 (4)</td><td rowspan="1" colspan="1">C19—C23—C24—N3</td><td rowspan="1" colspan="1">177.5 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N5—C36</td><td rowspan="1" colspan="1">94.3 (5)</td><td rowspan="1" colspan="1">N4—C23—C24—C16</td><td rowspan="1" colspan="1">176.8 (6)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N5—C36</td><td rowspan="1" colspan="1">86.8 (17)</td><td rowspan="1" colspan="1">C19—C23—C24—C16</td><td rowspan="1" colspan="1">−2.6 (9)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N5—C36</td><td rowspan="1" colspan="1">−91.5 (5)</td><td rowspan="1" colspan="1">C36—N5—C25—C26</td><td rowspan="1" colspan="1">−1.6 (11)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N5—C36</td><td rowspan="1" colspan="1">−168.9 (5)</td><td rowspan="1" colspan="1">Co1—N5—C25—C26</td><td rowspan="1" colspan="1">178.1 (6)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N6—C34</td><td rowspan="1" colspan="1">88.4 (6)</td><td rowspan="1" colspan="1">N5—C25—C26—C27</td><td rowspan="1" colspan="1">−0.4 (13)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N6—C34</td><td rowspan="1" colspan="1">9.6 (6)</td><td rowspan="1" colspan="1">C25—C26—C27—C28</td><td rowspan="1" colspan="1">1.9 (13)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N6—C34</td><td rowspan="1" colspan="1">−84.2 (6)</td><td rowspan="1" colspan="1">C26—C27—C28—C36</td><td rowspan="1" colspan="1">−1.2 (11)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N6—C34</td><td rowspan="1" colspan="1">−138.2 (8)</td><td rowspan="1" colspan="1">C26—C27—C28—C29</td><td rowspan="1" colspan="1">178.0 (8)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N6—C34</td><td rowspan="1" colspan="1">−178.2 (6)</td><td rowspan="1" colspan="1">C36—C28—C29—C30</td><td rowspan="1" colspan="1">0.5 (11)</td></tr><tr><td rowspan="1" colspan="1">N2—Co1—N6—C35</td><td rowspan="1" colspan="1">−94.8 (5)</td><td rowspan="1" colspan="1">C27—C28—C29—C30</td><td rowspan="1" colspan="1">−178.7 (8)</td></tr><tr><td rowspan="1" colspan="1">N1—Co1—N6—C35</td><td rowspan="1" colspan="1">−173.6 (4)</td><td rowspan="1" colspan="1">C28—C29—C30—C31</td><td rowspan="1" colspan="1">−1.8 (12)</td></tr><tr><td rowspan="1" colspan="1">N4—Co1—N6—C35</td><td rowspan="1" colspan="1">92.6 (5)</td><td rowspan="1" colspan="1">C29—C30—C31—C32</td><td rowspan="1" colspan="1">−178.2 (8)</td></tr><tr><td rowspan="1" colspan="1">N3—Co1—N6—C35</td><td rowspan="1" colspan="1">38.6 (10)</td><td rowspan="1" colspan="1">C29—C30—C31—C35</td><td rowspan="1" colspan="1">0.2 (12)</td></tr><tr><td rowspan="1" colspan="1">N5—Co1—N6—C35</td><td rowspan="1" colspan="1">−1.4 (4)</td><td rowspan="1" colspan="1">C35—C31—C32—C33</td><td rowspan="1" colspan="1">−1.8 (11)</td></tr><tr><td rowspan="1" colspan="1">C12—N1—C1—C2</td><td rowspan="1" colspan="1">1.9 (10)</td><td rowspan="1" colspan="1">C30—C31—C32—C33</td><td rowspan="1" colspan="1">176.6 (8)</td></tr><tr><td rowspan="1" colspan="1">Co1—N1—C1—C2</td><td rowspan="1" colspan="1">−171.8 (5)</td><td rowspan="1" colspan="1">C31—C32—C33—C34</td><td rowspan="1" colspan="1">2.6 (12)</td></tr><tr><td rowspan="1" colspan="1">N1—C1—C2—C3</td><td rowspan="1" colspan="1">−2.3 (12)</td><td rowspan="1" colspan="1">C35—N6—C34—C33</td><td rowspan="1" colspan="1">1.7 (11)</td></tr><tr><td rowspan="1" colspan="1">C1—C2—C3—C4</td><td rowspan="1" colspan="1">0.0 (13)</td><td rowspan="1" colspan="1">Co1—N6—C34—C33</td><td rowspan="1" colspan="1">178.4 (6)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C12</td><td rowspan="1" colspan="1">2.3 (12)</td><td rowspan="1" colspan="1">C32—C33—C34—N6</td><td rowspan="1" colspan="1">−2.6 (13)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C5</td><td rowspan="1" colspan="1">−178.0 (9)</td><td rowspan="1" colspan="1">C34—N6—C35—C31</td><td rowspan="1" colspan="1">−0.8 (10)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5—C6</td><td rowspan="1" colspan="1">−179.8 (10)</td><td rowspan="1" colspan="1">Co1—N6—C35—C31</td><td rowspan="1" colspan="1">−177.9 (5)</td></tr><tr><td rowspan="1" colspan="1">C12—C4—C5—C6</td><td rowspan="1" colspan="1">−0.2 (14)</td><td rowspan="1" colspan="1">C34—N6—C35—C36</td><td rowspan="1" colspan="1">179.0 (6)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6—C7</td><td rowspan="1" colspan="1">0.4 (17)</td><td rowspan="1" colspan="1">Co1—N6—C35—C36</td><td rowspan="1" colspan="1">1.9 (7)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—C8</td><td rowspan="1" colspan="1">−178.6 (10)</td><td rowspan="1" colspan="1">C32—C31—C35—N6</td><td rowspan="1" colspan="1">0.9 (10)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—C11</td><td rowspan="1" colspan="1">−1.0 (16)</td><td rowspan="1" colspan="1">C30—C31—C35—N6</td><td rowspan="1" colspan="1">−177.6 (7)</td></tr><tr><td rowspan="1" colspan="1">C11—C7—C8—C9</td><td rowspan="1" colspan="1">−3.0 (14)</td><td rowspan="1" colspan="1">C32—C31—C35—C36</td><td rowspan="1" colspan="1">−178.9 (7)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C8—C9</td><td rowspan="1" colspan="1">174.6 (10)</td><td rowspan="1" colspan="1">C30—C31—C35—C36</td><td rowspan="1" colspan="1">2.6 (10)</td></tr><tr><td rowspan="1" colspan="1">C7—C8—C9—C10</td><td rowspan="1" colspan="1">4.2 (16)</td><td rowspan="1" colspan="1">C25—N5—C36—C28</td><td rowspan="1" colspan="1">2.3 (10)</td></tr><tr><td rowspan="1" colspan="1">C11—N2—C10—C9</td><td rowspan="1" colspan="1">−1.3 (12)</td><td rowspan="1" colspan="1">Co1—N5—C36—C28</td><td rowspan="1" colspan="1">−177.5 (5)</td></tr><tr><td rowspan="1" colspan="1">Co1—N2—C10—C9</td><td rowspan="1" colspan="1">175.5 (7)</td><td rowspan="1" colspan="1">C25—N5—C36—C35</td><td rowspan="1" colspan="1">179.9 (6)</td></tr><tr><td rowspan="1" colspan="1">C8—C9—C10—N2</td><td rowspan="1" colspan="1">−2.1 (15)</td><td rowspan="1" colspan="1">Co1—N5—C36—C35</td><td rowspan="1" colspan="1">0.1 (7)</td></tr><tr><td rowspan="1" colspan="1">C10—N2—C11—C7</td><td rowspan="1" colspan="1">2.5 (10)</td><td rowspan="1" colspan="1">C27—C28—C36—N5</td><td rowspan="1" colspan="1">−0.9 (10)</td></tr><tr><td rowspan="1" colspan="1">Co1—N2—C11—C7</td><td rowspan="1" colspan="1">−174.7 (5)</td><td rowspan="1" colspan="1">C29—C28—C36—N5</td><td rowspan="1" colspan="1">179.8 (7)</td></tr><tr><td rowspan="1" colspan="1">C10—N2—C11—C12</td><td rowspan="1" colspan="1">−177.0 (6)</td><td rowspan="1" colspan="1">C27—C28—C36—C35</td><td rowspan="1" colspan="1">−178.5 (6)</td></tr><tr><td rowspan="1" colspan="1">Co1—N2—C11—C12</td><td rowspan="1" colspan="1">5.8 (7)</td><td rowspan="1" colspan="1">C29—C28—C36—C35</td><td rowspan="1" colspan="1">2.2 (10)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C11—N2</td><td rowspan="1" colspan="1">−0.5 (11)</td><td rowspan="1" colspan="1">N6—C35—C36—N5</td><td rowspan="1" colspan="1">−1.4 (9)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C11—N2</td><td rowspan="1" colspan="1">−178.3 (8)</td><td rowspan="1" colspan="1">C31—C35—C36—N5</td><td rowspan="1" colspan="1">178.5 (6)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C11—C12</td><td rowspan="1" colspan="1">179.0 (7)</td><td rowspan="1" colspan="1">N6—C35—C36—C28</td><td rowspan="1" colspan="1">176.3 (6)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C11—C12</td><td rowspan="1" colspan="1">1.2 (12)</td><td rowspan="1" colspan="1">C31—C35—C36—C28</td><td rowspan="1" colspan="1">−3.8 (10)</td></tr><tr><td rowspan="1" colspan="1">C1—N1—C12—C4</td><td rowspan="1" colspan="1">0.6 (10)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, °)</title><table-wrap position="anchor" id="d1e4882"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="5"><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H</td><td rowspan="1" colspan="1">H···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>···<italic>A</italic></td><td rowspan="1" colspan="1"><italic>D</italic>—H···<italic>A</italic></td></tr><tr><td rowspan="1" colspan="1">O9—H209···O1<sup>i</sup></td><td rowspan="1" colspan="1">0.85 (10)</td><td rowspan="1" colspan="1">1.99 (8)</td><td rowspan="1" colspan="1">2.802 (13)</td><td rowspan="1" colspan="1">157 (19)</td></tr><tr><td rowspan="1" colspan="1">O9—H109···O8</td><td rowspan="1" colspan="1">0.86 (14)</td><td rowspan="1" colspan="1">2.26 (17)</td><td rowspan="1" colspan="1">2.953 (17)</td><td rowspan="1" colspan="1">139 (23)</td></tr><tr><td rowspan="1" colspan="1">C15—H15···O9<sup>ii</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.56</td><td rowspan="1" colspan="1">3.271 (14)</td><td rowspan="1" colspan="1">134</td></tr><tr><td rowspan="1" colspan="1">C33—H33···O5<sup>iii</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.51</td><td rowspan="1" colspan="1">3.116 (12)</td><td rowspan="1" colspan="1">123</td></tr><tr><td rowspan="1" colspan="1">C5—H5···O4<sup>iv</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.45</td><td rowspan="1" colspan="1">3.309 (13)</td><td rowspan="1" colspan="1">154</td></tr><tr><td rowspan="1" colspan="1">C33—H33···O5<sup>iii</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.51</td><td rowspan="1" colspan="1">3.116 (12)</td><td rowspan="1" colspan="1">123</td></tr></table></table-wrap><p>Symmetry codes: (i) <italic>x</italic>, <italic>y</italic>, <italic>z</italic>+1; (ii) <italic>x</italic>, <italic>y</italic>+1, <italic>z</italic>−1; (iii) −<italic>x</italic>+2, −<italic>y</italic>+1, −<italic>z</italic>+1; (iv) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Addison, A. 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(2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref></ref-list></back><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Selected bond lengths (Å)</title></caption><table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re2—O7</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.549 (15)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re2—O5</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.685 (8)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re2—O6</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.708 (8)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re2—O8</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.728 (8)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re1—O3</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.688 (9)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re1—O2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.691 (9)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re1—O1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.700 (7)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Re1—O4</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.724 (10)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N6</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.122 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.122 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.136 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N4</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.147 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N3</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.148 (6)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—N5</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.151 (6)</td></tr></tbody></table></table-wrap><table-wrap id="table2" position="float"><label>Table 2</label><caption><title>Hydrogen-bond geometry (Å, °)</title></caption><table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th></tr></thead><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O9—H209⋯O1<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.85 (10)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.99 (8)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.802 (13)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">157 (19)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O9—H109⋯O8</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86 (14)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.26 (17)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.953 (17)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">139 (23)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C15—H15⋯O9<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.56</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.271 (14)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">134</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C33—H33⋯O5<sup>iii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.51</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.116 (12)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">123</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C5—H5⋯O4<sup>iv</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.45</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.309 (13)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">154</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C33—H33⋯O5<sup>iii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.51</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.116 (12)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">123</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-66-0m816-efi2.jpg" mimetype="image" 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