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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Bis[tris(phenanthroline-κ<sup>2</sup><italic>N</italic>,<italic>N</italic>′)cobalt(II)] undecatungsto(VI)vanado(V)phosphate dihydrate</title><author><name sortKey="Hajsalem, Assia" sort="Hajsalem, Assia" uniqKey="Hajsalem A" first="Assia" last="Hajsalem">Assia Hajsalem</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="Aoun, Sameh" sort="Aoun, Sameh" uniqKey="Aoun S" first="Sameh" last="Aoun">Sameh Aoun</name><affiliation><nlm:aff id="b">Laboratoire CEISAM, UMR CNRS 6230, UFR des Sciences et des Techniques, 2 rue de la Houssinière, BP 92208, 44322 Nantes Cedex 03,<country>France</country></nlm:aff></affiliation></author><author><name sortKey="Planchat, Aurelien" sort="Planchat, Aurelien" uniqKey="Planchat A" first="Aurelien" last="Planchat">Aurelien Planchat</name><affiliation><nlm:aff id="b">Laboratoire CEISAM, UMR CNRS 6230, UFR des Sciences et des Techniques, 2 rue de la Houssinière, BP 92208, 44322 Nantes Cedex 03,<country>France</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="Toumi, Samah Akriche" sort="Toumi, Samah Akriche" uniqKey="Toumi S" first="Samah Akriche" last="Toumi">Samah Akriche Toumi</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></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">24826091</idno><idno type="pmc">3998553</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998553</idno><idno type="RBID">PMC:3998553</idno><idno type="doi">10.1107/S160053681400484X</idno><date when="2014">2014</date><idno type="wicri:Area/Pmc/Corpus">000380</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000380</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Bis[tris(phenanthroline-κ<sup>2</sup><italic>N</italic>,<italic>N</italic>′)cobalt(II)] undecatungsto(VI)vanado(V)phosphate dihydrate</title><author><name sortKey="Hajsalem, Assia" sort="Hajsalem, Assia" uniqKey="Hajsalem A" first="Assia" last="Hajsalem">Assia Hajsalem</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="Aoun, Sameh" sort="Aoun, Sameh" uniqKey="Aoun S" first="Sameh" last="Aoun">Sameh Aoun</name><affiliation><nlm:aff id="b">Laboratoire CEISAM, UMR CNRS 6230, UFR des Sciences et des Techniques, 2 rue de la Houssinière, BP 92208, 44322 Nantes Cedex 03,<country>France</country></nlm:aff></affiliation></author><author><name sortKey="Planchat, Aurelien" sort="Planchat, Aurelien" uniqKey="Planchat A" first="Aurelien" last="Planchat">Aurelien Planchat</name><affiliation><nlm:aff id="b">Laboratoire CEISAM, UMR CNRS 6230, UFR des Sciences et des Techniques, 2 rue de la Houssinière, BP 92208, 44322 Nantes Cedex 03,<country>France</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="Toumi, Samah Akriche" sort="Toumi, Samah Akriche" uniqKey="Toumi S" first="Samah Akriche" last="Toumi">Samah Akriche Toumi</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></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2014">2014</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title hydrated salt, [Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>]<sub>2</sub>[PVW<sub>11</sub>O<sub>40</sub>]·2H<sub>2</sub>O, the complete Kegggin ion is generated by crystallographic inversion symmetry, which imposes statistical disorder on the O atoms of its central PO<sub>4</sub> group. The V atom is statistically disordered over all the metal sites of the anion. In the cation, the Co<sup>2+</sup> ion is coordinated by three bidentate 1,10-phenanthroline (phen) ligands, generating a distorted CoN<sub>6</sub> octahedron. Possible very weak intramolecular C—H⋯π interactions occur in the cation. In the crystal, the components are linked by O—H⋯O and C—H⋯O interactions, building a three-dimensional network featuring one-dimensional voids along the <italic>c</italic>-axis direction.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><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="iso-abbrev">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">24826091</article-id><article-id pub-id-type="pmc">3998553</article-id><article-id pub-id-type="publisher-id">hb7203</article-id><article-id pub-id-type="doi">10.1107/S160053681400484X</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S160053681400484X</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>Bis[tris(phenanthroline-κ<sup>2</sup><italic>N</italic>,<italic>N</italic>′)cobalt(II)] undecatungsto(VI)vanado(V)phosphate dihydrate</article-title><alt-title><italic>[Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>][PVW<sub>11</sub>O<sub>40</sub>]·2H<sub>2</sub>O</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Hajsalem</surname><given-names>Assia</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Aoun</surname><given-names>Sameh</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Planchat</surname><given-names>Aurelien</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>Toumi</surname><given-names>Samah Akriche</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><aff id="a"><label>a</label>Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna Bizerte,<country>Tunisia</country></aff><aff id="b"><label>b</label>Laboratoire CEISAM, UMR CNRS 6230, UFR des Sciences et des Techniques, 2 rue de la Houssinière, BP 92208, 44322 Nantes Cedex 03,<country>France</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>samah.akriche@fsb.rnu.tn</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>4</month><year>2014</year></pub-date><pub-date pub-type="epub"><day>08</day><month>3</month><year>2014</year></pub-date><pub-date pub-type="pmc-release"><day>08</day><month>3</month><year>2014</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>70</volume><issue>Pt 4</issue><issue-id pub-id-type="publisher-id">e140400</issue-id><fpage>m125</fpage><lpage>m126</lpage><history><date date-type="received"><day>26</day><month>2</month><year>2014</year></date><date date-type="accepted"><day>03</day><month>3</month><year>2014</year></date></history><permissions><copyright-statement>© Hajsalem et al. 2014</copyright-statement><copyright-year>2014</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/S160053681400484X">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title hydrated salt, [Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>]<sub>2</sub>[PVW<sub>11</sub>O<sub>40</sub>]·2H<sub>2</sub>O, the complete Kegggin ion is generated by crystallographic inversion symmetry, which imposes statistical disorder on the O atoms of its central PO<sub>4</sub> group. The V atom is statistically disordered over all the metal sites of the anion. In the cation, the Co<sup>2+</sup> ion is coordinated by three bidentate 1,10-phenanthroline (phen) ligands, generating a distorted CoN<sub>6</sub> octahedron. Possible very weak intramolecular C—H⋯π interactions occur in the cation. In the crystal, the components are linked by O—H⋯O and C—H⋯O interactions, building a three-dimensional network featuring one-dimensional voids along the <italic>c</italic>-axis direction.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature </title><p>For related vanadium-substituted Keggin-ion structures, see: Glinskaya <italic>et al.</italic> (1989<xref ref-type="bibr" rid="bb8"> ▶</xref>); Klevtsova <italic>et al.</italic> (1990<xref ref-type="bibr" rid="bb10"> ▶</xref>, 1991<xref ref-type="bibr" rid="bb11"> ▶</xref>); Li <italic>et al.</italic> (2008<xref ref-type="bibr" rid="bb13"> ▶</xref>); Radkov & Beer (1995<xref ref-type="bibr" rid="bb16"> ▶</xref>). For IR spectroscopy investigations of Keggin ions, see: Lee & Misono (1997<xref ref-type="bibr" rid="bb12"> ▶</xref>); Deltcheff <italic>et al.</italic> (1983<xref ref-type="bibr" rid="bb4"> ▶</xref>); Watras & Teplyakov (2005<xref ref-type="bibr" rid="bb18"> ▶</xref>). For bond-valence calculations, see: Brown & Altermatt (1985<xref ref-type="bibr" rid="bb3"> ▶</xref>). For background to polyoxidometalate chemistry, see: Pope & Müller (1991<xref ref-type="bibr" rid="bb14"> ▶</xref>, 1994<xref ref-type="bibr" rid="bb15"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-70-0m125-scheme1.jpg" position="float"></graphic></chem-struct></p></sec><sec 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" id="l1"><list-item><p>[Co(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>3</sub>][PVW<sub>11</sub>O<sub>40</sub>]·2H<sub>2</sub>O</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 3979.38</p></list-item><list-item><p>Monoclinic, <inline-formula><inline-graphic xlink:href="e-70-0m125-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 19.487 (2) Å</p></list-item><list-item><p><italic>b</italic> = 18.049 (3) Å</p></list-item><list-item><p><italic>c</italic> = 25.216 (2) Å</p></list-item><list-item><p>β = 100.22 (3)°</p></list-item><list-item><p><italic>V</italic> = 8728.4 (18) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 4</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 15.02 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 295 K</p></list-item><list-item><p>0.13 × 0.08 × 0.04 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection </title><p><list list-type="simple" id="l2"><list-item><p>Nonius KappaCCD diffractometer</p></list-item><list-item><p>Absorption correction: multi-scan (<italic>SORTAV</italic>; Blessing, 1995<xref ref-type="bibr" rid="bb1"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.202, <italic>T</italic><sub>max</sub> = 0.421</p></list-item><list-item><p>62427 measured reflections</p></list-item><list-item><p>11235 independent reflections</p></list-item><list-item><p>8172 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.070</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement </title><p><list list-type="simple" id="l3"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.054</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.095</p></list-item><list-item><p><italic>S</italic> = 1.16</p></list-item><list-item><p>11235 reflections</p></list-item><list-item><p>688 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> = 1.39 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −1.51 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e683"><title></title><p>Data collection: <italic>COLLECT</italic> (Hooft, 1998<xref ref-type="bibr" rid="bb9"> ▶</xref>); cell refinement: <italic>DIRAX/LSQ</italic> (Duisenberg <italic>et al.</italic>, 2000<xref ref-type="bibr" rid="bb5"> ▶</xref>); data reduction: <italic>EVALCCD</italic> (Duisenberg <italic>et al.</italic>, 2003<xref ref-type="bibr" rid="bb6"> ▶</xref>); program(s) used to solve structure: <italic>SHELXS97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb17"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb17"> ▶</xref>); molecular graphics: <italic>ORTEP-3 for Windows</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb7"> ▶</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, 2012<xref ref-type="bibr" rid="bb7"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data"><p>Crystal structure: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S160053681400484X/hb7203sup1.cif">10.1107/S160053681400484X/hb7203sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-70-0m125-sup1.cif" xlink:type="simple" id="d35e160" position="anchor"></media></supplementary-material><supplementary-material content-type="local-data"><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S160053681400484X/hb7203Isup2.hkl">10.1107/S160053681400484X/hb7203Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-70-0m125-Isup2.hkl" xlink:type="simple" id="d35e167" position="anchor"></media></supplementary-material><supplementary-material content-type="local-data"><p>CCDC reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/cr.cgi?rm=csd&csdid=989480">989480</ext-link></p></supplementary-material><supplementary-material content-type="local-data"><p>Additional supporting information: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?hb7203&file=hb7203sup0.html&mime=text/html"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?hb7203sup1&Qmime=cif">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?hb7203&checkcif=yes">checkCIF report</ext-link></p></supplementary-material></sec></body><back><fn-group><fn id="fnu1"><p>Supporting information for this paper is available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?hb7203">HB7203</ext-link>).</p></fn></fn-group><ack><p>The authors express their appreciation to the CNRS 6230 UFR Sciences and Techniques of Nantes in France for supporting this work.</p></ack><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>1. Comment </title><p>A bibliographic survey shows only a few examples of
substituted vanadium keggin-type [XV<sub>1</sub>W<sub>11</sub>O<sub>40</sub>]<italic><sup>p</sup></italic><sup>-</sup> clusters
associated to organometallic or organic moieties: such as
(C<sub>2</sub>N<sub>2</sub>H<sub>10</sub>)<sub>2</sub>[VV<sub>1</sub>W<sub>11</sub>O<sub>40</sub>]·6H<sub>2</sub>O (Glinskaya <italic>et al.</italic>,
1989), [N(CH<sub>3</sub>)<sub>4</sub>]<sub>4</sub>[VV<sub>1</sub>W<sub>11</sub>O<sub>40</sub>]·4.5H<sub>2</sub>O (Klevtsova <italic>et
al.</italic>,
1991),[(CH<sub>3</sub>)<sub>2</sub>NCHO]<sub>4</sub>H<sub>4</sub>[VV<sub>1</sub>W<sub>11</sub>O<sub>40</sub>].2[(CH<sub>3</sub>)<sub>2</sub>NCHO]·2H<sub>2</sub>O
(Klevtsova <italic>et al.</italic>, 1990), [Cu(phen)<sub>2</sub>]<sub>2</sub>[PVW<sub>11</sub>O<sub>40</sub>] (phen =
phenanthroline)(Li <italic>et al.</italic>, 2008),(n-Bu<sub>4</sub>N)<sub>4</sub>[PMW<sub>11</sub>O<sub>40</sub>]
(n-Bu =
<italic>n</italic>-Butyl and <italic>M</italic> = V, Nb, Ta) (Radkov & Beer, 1995). Here,
we
report a new monosubstituted vanadium tungstophosphate Keggin-type cluster
decorated by mononuclear metal-organic complex
[Co(phen)<sub>3</sub>]<sub>2</sub>[PVW<sub>11</sub>O<sub>40</sub>]·2H<sub>2</sub>O (phen = phenanthroline) (I).</p><p>The asymmetric unit of of I consists of a mononuclear complex [Co(phen)<sub>3</sub>]<sup>2+</sup>cation and a half of Keggin-type [PVW<sub>11</sub>O<sub>40</sub>]<sup>4-</sup> anion and one water
molecule. As P atom is located on centre of inversion symmetry, the whole
[PVW<sub>11</sub>O<sub>40</sub>]<sup>4-</sup> polyoxidoanion is generated by this element and so is
composed of a disordered PO<sub>4</sub> tetrahedron surrounded by four vertex-sharing
<italic>M</italic><sub>3</sub>O<sub>13</sub> (with <italic>M</italic> = W/V) subunits which result from the
association of three edge-sharing MO<sub>6</sub> octahedra enwrapping a PO<sub>8</sub> cube with
oxygen atom site occupancy of 0.5. In the MO<sub>6</sub> (with <italic>M</italic> = W/V)
octahedra, the position of metal atom is crystallographically disordered and
constrained as 11/12 W and 1/12 V, with occupancies of 0.083 and 0.917 for W
and V respectively.</p><p>The contents of W and V revealed by X-ray analysis are consistent with the
results from elemental analyses and scanning electronic microscopy (Fig. 2) as
well as the IR spectroscopy wich shows that the streching vibration of (P—O)
splits into two absoption bands at 1095 cm<sup>-1</sup> and 1068 cm<sup>-1</sup> because of the
lower symmetry so as well confirm the presence of monosubstituted vanadium
keggin-type clusters in I (Lee <italic>et al.</italic>, 1997; Deltcheff <italic>et
al.</italic>,
1983; Watras <italic>et al.</italic>, 2005).</p><p>The assignment of oxidation states for the tungsten and vanadium atoms is
confirmed by bond valence sum calculations (Brown & Altermatt, 1985))
which
show that vanadium atom has +V oxidation state (average 4.98 valence units)
while tungsten atoms have +VI oxidation state (average 6.23 valence units).
These oxidation states are identical with the charge balance considerations
and so consistent with the expected [PV<sup>+V</sup>W<sup>+VI</sup><sub>11</sub>O<sub>40</sub>]<sup>4-</sup> subunits.</p><p>The P—O bond distances range 1.481 (11)—1.582 (11) Å and O—P—O bond
angles interval 105.5 (6)—112.6 (6) °. Commonly, the M—O bond distances are
grouped into three sets: M—Ot, M—Ob and M—Oc (with Ot: terminal oxygen
atoms, Oc: central oxygen atoms, Ob: bridging oxygen atoms) which are
respectively ranged between 1.667 (8)—1.677 (7) Å, 2.396 (11)—2.526 (12) Å
and 1.750 (18)—2.085 (14) Å. With regard to the mononuclear complex,the
Co<sup>2+</sup> metal is also coordinated by six nitrogen atoms from three chelating
1,10-phenanthroline ligands to form a slightly distorted MN<sub>6</sub> octahedron with
bond lenghts around Co, are 2.053 (9)—2.085 (8) Å (Co—N) and
80.0 (4)—173.9 (4)° (N—Co—N) (Table 1).</p><p>The crystal packing of I shows that the discrete polyoxidoanion subunits are
interconnected through water molecules <italic>via</italic> O—H···O hydrogen bonding
interactions with O···O separation ranging from 2.836 (13) to 2.928 (14) Å
(Table 2), to perform alternating [PVW<sub>11</sub>O<sub>40</sub>(H<sub>2</sub>O)<sub>2</sub>]<sup>4n-</sup> ribbons
extending along [110] and [110] crystallographic directions. The so-obtained
one-dimensional-subnetworks stack together by the metal-organic moieties
thanks to weak C–H···O (mean C···O = 3.144 Å) (Table 1) and electrostatic
interactions so as to build three-dimensional-supramolecular network
generating vacant one-dimensional-channels along <italic>c</italic> axis as can be seen
in Fig. 3.
Very weak intramolecular
C—H···π interactions of phen rings (Fig. 4) with mean distances
of 3 Å (Table 2) are also observed.</p></sec><sec id="experimental"><title>2. Experimental </title><p>A reaction mixture of Na<sub>2</sub>WO<sub>4</sub>·2H<sub>2</sub>O (2 g, 6.064 mmol),
NaH<sub>2</sub>PO<sub>4</sub>·2H<sub>2</sub>O (0.1034 g, 0.6628 mmol), CoCl<sub>2</sub>·6H<sub>2</sub>O (0.1951 g, 0.8196 mmol), V<sub>2</sub>O<sub>5</sub> (0,0455 g; 0.25 mmol) and phen·H<sub>2</sub>O
(0.3196 g,
1.7758 mmol) were added to water (10 ml). The mixture was adjusted to pH = 5.5
by the addition of 4<italic>M</italic> HCl aqueous solution then stirred for 30 min in
air. The mixture solution was transferred into a 23 ml Teflon-lined autoclave
and crystallized at 180°C for 4 days. Then the autoclave was cooled at
10°C.h<sup>-1</sup> to room temperature. The resulting dark yellow block crystals of I
were filtered off, washed with water, and dried at ambient temperature to give
yields of 68% based on W. Anal. Calc. For C<sub>72</sub>H<sub>52</sub>N<sub>12</sub>Co<sub>2</sub>O<sub>42</sub>PVW<sub>11</sub>(%): C 21.79, H 1.27, N 4.20, W 50.92, V 1.28, P 0.78, Co 2.96; Found C 21.71,
H 1.31, N 4.25, W 50.80, V 1.31, P 3/4, Co 2.98; IR (KBr, cm<sup>-1</sup>): 966
ν(<italic>M</italic>=Ot), 887 ν(M—Ob—<italic>M</italic>), 799 ν(M—Oc—<italic>M</italic>) with
<italic>M</italic>=W/V and 1095 and 1068 ν(P—O).</p></sec><sec id="refinement"><title>3. Refinement </title><p>All H atoms attached to C atoms were fixed geometrically and treated as riding,
with C—H = 0.93 Å and <italic>U</italic><sub>iso</sub>(H) = 1.2Ueq(C). Water H atoms were
refined using restraints [O—H = 0.85 (1) A °, H···H = 1.44 (2) A ° and
<italic>U</italic><sub>iso</sub>(H) = 1.5Ueq(O)].</p><p>Many trials of crystal growing are unsuccessful and despite the good quality of
selected crystal for experimental X-Ray,the largest isolated one has a
relatively small size (crystal size: 0.04 × 0.08 × 0.013 mm), which
lead to the poor diffraction at higher angles.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>An ORTEP view of (I) with displacement ellipsoids drawn at the 30% probability level. H atoms are represented as small spheres of arbitrary radii. Hydrogen bonds are represented as dashed lines. [Symmetry code: (i) 1 - x, 1 - y, 1 - z]</p></caption><graphic xlink:href="e-70-0m125-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>EDAX pattern of I</p></caption><graphic xlink:href="e-70-0m125-fig2"></graphic></fig><fig id="Fap3"><label>Fig. 3.</label><caption><p>Packing diagram of I viewed along c axis showing a three-dimensional-supramolecular structure featuring the voids represented as large yellow ball. The H-atoms not included in H-bond scheme are omitted.</p></caption><graphic xlink:href="e-70-0m125-fig3"></graphic></fig><fig id="Fap4"><label>Fig. 4.</label><caption><p>View of intramolecular C—H···π interaction in (I). The H-atoms not included in H-bond scheme are omitted.</p></caption><graphic xlink:href="e-70-0m125-fig4"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e517"><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>][PVW<sub>11</sub>O<sub>40</sub>]·2H<sub>2</sub>O</td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 7240</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 3979.38</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 3.028 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Monoclinic, <italic>C</italic>2/<italic>c</italic></td><td rowspan="1" colspan="1">Mo <italic>K</italic>α radiation, λ = 0.71073 Å</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 19.487 (2) Å</td><td rowspan="1" colspan="1">Cell parameters from 25 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 18.049 (3) Å</td><td rowspan="1" colspan="1">θ = 9–11°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 25.216 (2) Å</td><td rowspan="1" colspan="1">µ = 15.02 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">β = 100.22 (3)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 295 K</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 8728.4 (18) Å<sup>3</sup></td><td rowspan="1" colspan="1">PRISM, yellow</td></tr><tr><td rowspan="1" colspan="1"><italic>Z</italic> = 4</td><td rowspan="1" colspan="1">0.13 × 0.08 × 0.04 mm</td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e651"><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">Nonius KappaCCD diffractometer</td><td rowspan="1" colspan="1">11235 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1">8172 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">Horizonally mounted graphite crystal monochromator</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.070</td></tr><tr><td rowspan="1" colspan="1">Detector resolution: 9 pixels mm<sup>-1</sup></td><td rowspan="1" colspan="1">θ<sub>max</sub> = 28.8°, θ<sub>min</sub> = 6.4°</td></tr><tr><td rowspan="1" colspan="1">CCD rotation images, thick slices scans</td><td rowspan="1" colspan="1"><italic>h</italic> = −26→25</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (<italic>SORTAV</italic>; Blessing, 1995)</td><td rowspan="1" colspan="1"><italic>k</italic> = −24→24</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.202, <italic>T</italic><sub>max</sub> = 0.421</td><td rowspan="1" colspan="1"><italic>l</italic> = −34→32</td></tr><tr><td rowspan="1" colspan="1">62427 measured reflections</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e769"><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>)] = 0.054</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>) = 0.095</td><td rowspan="1" colspan="1">H atoms treated by a mixture of independent and constrained refinement</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.16</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + 250.0304<italic>P</italic>] where <italic>P</italic> = (<italic>F</italic><sub>o</sub><sup>2</sup> + 2<italic>F</italic><sub>c</sub><sup>2</sup>)/3</td></tr><tr><td rowspan="1" colspan="1">11235 reflections</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.002</td></tr><tr><td rowspan="1" colspan="1">688 parameters</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 1.39 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> = −1.51 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="d1e920"><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="d1e1019"><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">Occ. (<1)</td></tr><tr><td rowspan="1" colspan="1">W1</td><td rowspan="1" colspan="1">0.90431 (2)</td><td rowspan="1" colspan="1">0.16939 (2)</td><td rowspan="1" colspan="1">0.468951 (18)</td><td rowspan="1" colspan="1">0.03506 (10)</td><td rowspan="1" colspan="1">0.91</td></tr><tr><td rowspan="1" colspan="1">V1</td><td rowspan="1" colspan="1">0.90431 (2)</td><td rowspan="1" colspan="1">0.16939 (2)</td><td rowspan="1" colspan="1">0.468951 (18)</td><td rowspan="1" colspan="1">0.03506 (10)</td><td rowspan="1" colspan="1">0.09</td></tr><tr><td rowspan="1" colspan="1">W2</td><td rowspan="1" colspan="1">0.91248 (2)</td><td rowspan="1" colspan="1">0.27877 (3)</td><td rowspan="1" colspan="1">0.587700 (17)</td><td rowspan="1" colspan="1">0.03574 (11)</td><td rowspan="1" colspan="1">0.91</td></tr><tr><td rowspan="1" colspan="1">V2</td><td rowspan="1" colspan="1">0.91248 (2)</td><td rowspan="1" colspan="1">0.27877 (3)</td><td rowspan="1" colspan="1">0.587700 (17)</td><td rowspan="1" colspan="1">0.03574 (11)</td><td rowspan="1" colspan="1">0.09</td></tr><tr><td rowspan="1" colspan="1">W3</td><td rowspan="1" colspan="1">0.83223 (2)</td><td rowspan="1" colspan="1">0.10207 (3)</td><td rowspan="1" colspan="1">0.579002 (19)</td><td rowspan="1" colspan="1">0.04092 (12)</td><td rowspan="1" colspan="1">0.92</td></tr><tr><td rowspan="1" colspan="1">V3</td><td rowspan="1" colspan="1">0.83223 (2)</td><td rowspan="1" colspan="1">0.10207 (3)</td><td rowspan="1" colspan="1">0.579002 (19)</td><td rowspan="1" colspan="1">0.04092 (12)</td><td rowspan="1" colspan="1">0.08</td></tr><tr><td rowspan="1" colspan="1">W4</td><td rowspan="1" colspan="1">0.82438 (2)</td><td rowspan="1" colspan="1">0.32068 (3)</td><td rowspan="1" colspan="1">0.391898 (18)</td><td rowspan="1" colspan="1">0.04283 (12)</td><td rowspan="1" colspan="1">0.92</td></tr><tr><td rowspan="1" colspan="1">V4</td><td rowspan="1" colspan="1">0.82438 (2)</td><td rowspan="1" colspan="1">0.32068 (3)</td><td rowspan="1" colspan="1">0.391898 (18)</td><td rowspan="1" colspan="1">0.04283 (12)</td><td rowspan="1" colspan="1">0.08</td></tr><tr><td rowspan="1" colspan="1">W5</td><td rowspan="1" colspan="1">0.67180 (3)</td><td rowspan="1" colspan="1">0.07254 (3)</td><td rowspan="1" colspan="1">0.48920 (2)</td><td rowspan="1" colspan="1">0.04756 (13)</td><td rowspan="1" colspan="1">0.92</td></tr><tr><td rowspan="1" colspan="1">V5</td><td rowspan="1" colspan="1">0.67180 (3)</td><td rowspan="1" colspan="1">0.07254 (3)</td><td rowspan="1" colspan="1">0.48920 (2)</td><td rowspan="1" colspan="1">0.04756 (13)</td><td rowspan="1" colspan="1">0.08</td></tr><tr><td rowspan="1" colspan="1">W6</td><td rowspan="1" colspan="1">0.74373 (3)</td><td rowspan="1" colspan="1">0.14331 (3)</td><td rowspan="1" colspan="1">0.380723 (19)</td><td rowspan="1" colspan="1">0.04799 (13)</td><td rowspan="1" colspan="1">0.92</td></tr><tr><td rowspan="1" colspan="1">V6</td><td rowspan="1" colspan="1">0.74373 (3)</td><td rowspan="1" colspan="1">0.14331 (3)</td><td rowspan="1" colspan="1">0.380723 (19)</td><td rowspan="1" colspan="1">0.04799 (13)</td><td rowspan="1" colspan="1">0.08</td></tr><tr><td rowspan="1" colspan="1">O1E</td><td rowspan="1" colspan="1">0.9773 (4)</td><td rowspan="1" colspan="1">0.1310 (5)</td><td rowspan="1" colspan="1">0.4547 (4)</td><td rowspan="1" colspan="1">0.072 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2E</td><td rowspan="1" colspan="1">0.9883 (4)</td><td rowspan="1" colspan="1">0.2925 (5)</td><td rowspan="1" colspan="1">0.6293 (3)</td><td rowspan="1" colspan="1">0.064 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3E</td><td rowspan="1" colspan="1">0.8718 (5)</td><td rowspan="1" colspan="1">0.0319 (5)</td><td rowspan="1" colspan="1">0.6152 (3)</td><td rowspan="1" colspan="1">0.066 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4E</td><td rowspan="1" colspan="1">0.8576 (4)</td><td rowspan="1" colspan="1">0.3557 (5)</td><td rowspan="1" colspan="1">0.3403 (3)</td><td rowspan="1" colspan="1">0.057 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5E</td><td rowspan="1" colspan="1">0.6360 (4)</td><td rowspan="1" colspan="1">−0.0117 (4)</td><td rowspan="1" colspan="1">0.4862 (3)</td><td rowspan="1" colspan="1">0.052 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6E</td><td rowspan="1" colspan="1">0.7424 (5)</td><td rowspan="1" colspan="1">0.0939 (5)</td><td rowspan="1" colspan="1">0.3244 (3)</td><td rowspan="1" colspan="1">0.069 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.9412 (4)</td><td rowspan="1" colspan="1">0.2330 (4)</td><td rowspan="1" colspan="1">0.5277 (3)</td><td rowspan="1" colspan="1">0.051 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.8823 (4)</td><td rowspan="1" colspan="1">0.1027 (4)</td><td rowspan="1" colspan="1">0.5215 (3)</td><td rowspan="1" colspan="1">0.053 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.8945 (5)</td><td rowspan="1" colspan="1">0.2558 (5)</td><td rowspan="1" colspan="1">0.4245 (3)</td><td rowspan="1" colspan="1">0.073 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.8351 (5)</td><td rowspan="1" colspan="1">0.1247 (5)</td><td rowspan="1" colspan="1">0.4175 (4)</td><td rowspan="1" colspan="1">0.079 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.8869 (4)</td><td rowspan="1" colspan="1">0.1821 (4)</td><td rowspan="1" colspan="1">0.6090 (3)</td><td rowspan="1" colspan="1">0.053 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6A</td><td rowspan="1" colspan="1">0.8877 (8)</td><td rowspan="1" colspan="1">0.3591 (10)</td><td rowspan="1" colspan="1">0.5382 (7)</td><td rowspan="1" colspan="1">0.038 (4)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O6B</td><td rowspan="1" colspan="1">0.9132 (8)</td><td rowspan="1" colspan="1">0.3772 (9)</td><td rowspan="1" colspan="1">0.5575 (6)</td><td rowspan="1" colspan="1">0.030 (3)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.8556 (4)</td><td rowspan="1" colspan="1">0.3900 (6)</td><td rowspan="1" colspan="1">0.4469 (4)</td><td rowspan="1" colspan="1">0.081 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.7761 (5)</td><td rowspan="1" colspan="1">0.2355 (5)</td><td rowspan="1" colspan="1">0.3599 (3)</td><td rowspan="1" colspan="1">0.072 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O9A</td><td rowspan="1" colspan="1">0.8604 (7)</td><td rowspan="1" colspan="1">0.3245 (9)</td><td rowspan="1" colspan="1">0.6394 (6)</td><td rowspan="1" colspan="1">0.032 (3)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O9B</td><td rowspan="1" colspan="1">0.8340 (7)</td><td rowspan="1" colspan="1">0.3084 (10)</td><td rowspan="1" colspan="1">0.6198 (6)</td><td rowspan="1" colspan="1">0.035 (4)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">0.7634 (4)</td><td rowspan="1" colspan="1">0.1309 (7)</td><td rowspan="1" colspan="1">0.6194 (4)</td><td rowspan="1" colspan="1">0.086 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O11A</td><td rowspan="1" colspan="1">0.7035 (10)</td><td rowspan="1" colspan="1">0.0633 (11)</td><td rowspan="1" colspan="1">0.4178 (7)</td><td rowspan="1" colspan="1">0.041 (4)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O11B</td><td rowspan="1" colspan="1">0.7226 (10)</td><td rowspan="1" colspan="1">0.0845 (10)</td><td rowspan="1" colspan="1">0.4384 (7)</td><td rowspan="1" colspan="1">0.038 (4)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">0.7599 (4)</td><td rowspan="1" colspan="1">0.0525 (6)</td><td rowspan="1" colspan="1">0.5323 (4)</td><td rowspan="1" colspan="1">0.081 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P</td><td rowspan="1" colspan="1">0.7500</td><td rowspan="1" colspan="1">0.2500</td><td rowspan="1" colspan="1">0.5000</td><td rowspan="1" colspan="1">0.0229 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1C</td><td rowspan="1" colspan="1">0.7595 (6)</td><td rowspan="1" colspan="1">0.3206 (7)</td><td rowspan="1" colspan="1">0.4667 (4)</td><td rowspan="1" colspan="1">0.028 (3)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O3C</td><td rowspan="1" colspan="1">0.7921 (6)</td><td rowspan="1" colspan="1">0.2294 (7)</td><td rowspan="1" colspan="1">0.4564 (5)</td><td rowspan="1" colspan="1">0.028 (3)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O4C</td><td rowspan="1" colspan="1">0.8176 (6)</td><td rowspan="1" colspan="1">0.2148 (7)</td><td rowspan="1" colspan="1">0.5224 (4)</td><td rowspan="1" colspan="1">0.027 (3)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O2C</td><td rowspan="1" colspan="1">0.7968 (6)</td><td rowspan="1" colspan="1">0.3041 (7)</td><td rowspan="1" colspan="1">0.5406 (4)</td><td rowspan="1" colspan="1">0.028 (3)</td><td rowspan="1" colspan="1">0.50</td></tr><tr><td rowspan="1" colspan="1">O1W</td><td rowspan="1" colspan="1">1.0714 (7)</td><td rowspan="1" colspan="1">0.1131 (6)</td><td rowspan="1" colspan="1">0.3771 (6)</td><td rowspan="1" colspan="1">0.098 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1W1</td><td rowspan="1" colspan="1">1.033 (6)</td><td rowspan="1" colspan="1">0.115 (9)</td><td rowspan="1" colspan="1">0.388 (8)</td><td rowspan="1" colspan="1">0.147*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2W1</td><td rowspan="1" colspan="1">1.092 (8)</td><td rowspan="1" colspan="1">0.071 (5)</td><td rowspan="1" colspan="1">0.380 (9)</td><td rowspan="1" colspan="1">0.147*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Co</td><td rowspan="1" colspan="1">0.80233 (7)</td><td rowspan="1" colspan="1">0.31178 (8)</td><td rowspan="1" colspan="1">0.15603 (5)</td><td rowspan="1" colspan="1">0.0367 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.8600 (5)</td><td rowspan="1" colspan="1">0.2468 (6)</td><td rowspan="1" colspan="1">0.2151 (4)</td><td rowspan="1" colspan="1">0.051 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.7596 (5)</td><td rowspan="1" colspan="1">0.2088 (5)</td><td rowspan="1" colspan="1">0.1326 (4)</td><td rowspan="1" colspan="1">0.047 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.8759 (5)</td><td rowspan="1" colspan="1">0.3135 (5)</td><td rowspan="1" colspan="1">0.1070 (3)</td><td rowspan="1" colspan="1">0.041 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.8545 (6)</td><td rowspan="1" colspan="1">0.4082 (6)</td><td rowspan="1" colspan="1">0.1827 (4)</td><td rowspan="1" colspan="1">0.054 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N5</td><td rowspan="1" colspan="1">0.7316 (4)</td><td rowspan="1" colspan="1">0.3680 (5)</td><td rowspan="1" colspan="1">0.0981 (3)</td><td rowspan="1" colspan="1">0.0375 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N6</td><td rowspan="1" colspan="1">0.7208 (4)</td><td rowspan="1" colspan="1">0.3243 (5)</td><td rowspan="1" colspan="1">0.1973 (3)</td><td rowspan="1" colspan="1">0.0365 (19)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.9090 (6)</td><td rowspan="1" colspan="1">0.2668 (9)</td><td rowspan="1" colspan="1">0.2556 (5)</td><td rowspan="1" colspan="1">0.064 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1</td><td rowspan="1" colspan="1">0.9240</td><td rowspan="1" colspan="1">0.3158</td><td rowspan="1" colspan="1">0.2573</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.9398 (8)</td><td rowspan="1" colspan="1">0.2178 (13)</td><td rowspan="1" colspan="1">0.2961 (6)</td><td rowspan="1" colspan="1">0.083 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2</td><td rowspan="1" colspan="1">0.9743</td><td rowspan="1" colspan="1">0.2340</td><td rowspan="1" colspan="1">0.3239</td><td rowspan="1" colspan="1">0.099*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.9184 (9)</td><td rowspan="1" colspan="1">0.1468 (12)</td><td rowspan="1" colspan="1">0.2937 (6)</td><td rowspan="1" colspan="1">0.085 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3</td><td rowspan="1" colspan="1">0.9379</td><td rowspan="1" colspan="1">0.1135</td><td rowspan="1" colspan="1">0.3203</td><td rowspan="1" colspan="1">0.102*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.8660 (7)</td><td rowspan="1" colspan="1">0.1226 (8)</td><td rowspan="1" colspan="1">0.2505 (5)</td><td rowspan="1" colspan="1">0.061 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.8418 (9)</td><td rowspan="1" colspan="1">0.0467 (8)</td><td rowspan="1" colspan="1">0.2431 (6)</td><td rowspan="1" colspan="1">0.075 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H5</td><td rowspan="1" colspan="1">0.8620</td><td rowspan="1" colspan="1">0.0104</td><td rowspan="1" colspan="1">0.2671</td><td rowspan="1" colspan="1">0.089*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.7912 (9)</td><td rowspan="1" colspan="1">0.0282 (8)</td><td rowspan="1" colspan="1">0.2025 (6)</td><td rowspan="1" colspan="1">0.073 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6</td><td rowspan="1" colspan="1">0.7755</td><td rowspan="1" colspan="1">−0.0205</td><td rowspan="1" colspan="1">0.1995</td><td rowspan="1" colspan="1">0.088*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.7601 (7)</td><td rowspan="1" colspan="1">0.0823 (7)</td><td rowspan="1" colspan="1">0.1630 (5)</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.7059 (8)</td><td rowspan="1" colspan="1">0.0667 (8)</td><td rowspan="1" colspan="1">0.1192 (6)</td><td rowspan="1" colspan="1">0.070 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8</td><td rowspan="1" colspan="1">0.6881</td><td rowspan="1" colspan="1">0.0190</td><td rowspan="1" colspan="1">0.1136</td><td rowspan="1" colspan="1">0.084*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.6808 (8)</td><td rowspan="1" colspan="1">0.1224 (9)</td><td rowspan="1" colspan="1">0.0859 (6)</td><td rowspan="1" colspan="1">0.072 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9</td><td rowspan="1" colspan="1">0.6444</td><td rowspan="1" colspan="1">0.1135</td><td rowspan="1" colspan="1">0.0574</td><td rowspan="1" colspan="1">0.086*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.7080 (7)</td><td rowspan="1" colspan="1">0.1908 (8)</td><td rowspan="1" colspan="1">0.0936 (5)</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H10</td><td rowspan="1" colspan="1">0.6891</td><td rowspan="1" colspan="1">0.2279</td><td rowspan="1" colspan="1">0.0698</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.7863 (6)</td><td rowspan="1" colspan="1">0.1554 (6)</td><td rowspan="1" colspan="1">0.1681 (4)</td><td rowspan="1" colspan="1">0.046 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.8393 (6)</td><td rowspan="1" colspan="1">0.1741 (8)</td><td rowspan="1" colspan="1">0.2123 (5)</td><td rowspan="1" colspan="1">0.054 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.8843 (6)</td><td rowspan="1" colspan="1">0.2656 (7)</td><td rowspan="1" colspan="1">0.0680 (5)</td><td rowspan="1" colspan="1">0.052 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13</td><td rowspan="1" colspan="1">0.8576</td><td rowspan="1" colspan="1">0.2226</td><td rowspan="1" colspan="1">0.0639</td><td rowspan="1" colspan="1">0.062*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.9317 (6)</td><td rowspan="1" colspan="1">0.2776 (8)</td><td rowspan="1" colspan="1">0.0331 (5)</td><td rowspan="1" colspan="1">0.059 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14</td><td rowspan="1" colspan="1">0.9351</td><td rowspan="1" colspan="1">0.2440</td><td rowspan="1" colspan="1">0.0057</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.9731 (6)</td><td rowspan="1" colspan="1">0.3399 (7)</td><td rowspan="1" colspan="1">0.0398 (5)</td><td rowspan="1" colspan="1">0.058 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H15</td><td rowspan="1" colspan="1">1.0055</td><td rowspan="1" colspan="1">0.3478</td><td rowspan="1" colspan="1">0.0174</td><td rowspan="1" colspan="1">0.069*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.9669 (6)</td><td rowspan="1" colspan="1">0.3917 (7)</td><td rowspan="1" colspan="1">0.0805 (5)</td><td rowspan="1" colspan="1">0.051 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">1.0060 (6)</td><td rowspan="1" colspan="1">0.4588 (7)</td><td rowspan="1" colspan="1">0.0903 (6)</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H17</td><td rowspan="1" colspan="1">1.0397</td><td rowspan="1" colspan="1">0.4700</td><td rowspan="1" colspan="1">0.0696</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.9948 (6)</td><td rowspan="1" colspan="1">0.5058 (7)</td><td rowspan="1" colspan="1">0.1291 (6)</td><td rowspan="1" colspan="1">0.064 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H18</td><td rowspan="1" colspan="1">1.0210</td><td rowspan="1" colspan="1">0.5491</td><td rowspan="1" colspan="1">0.1347</td><td rowspan="1" colspan="1">0.077*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.9437 (6)</td><td rowspan="1" colspan="1">0.4915 (7)</td><td rowspan="1" colspan="1">0.1621 (5)</td><td rowspan="1" colspan="1">0.057 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.9284 (8)</td><td rowspan="1" colspan="1">0.5398 (8)</td><td rowspan="1" colspan="1">0.2027 (6)</td><td rowspan="1" colspan="1">0.066 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H20</td><td rowspan="1" colspan="1">0.9512</td><td rowspan="1" colspan="1">0.5851</td><td rowspan="1" colspan="1">0.2089</td><td rowspan="1" colspan="1">0.079*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.8798 (9)</td><td rowspan="1" colspan="1">0.5191 (8)</td><td rowspan="1" colspan="1">0.2324 (6)</td><td rowspan="1" colspan="1">0.073 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H21</td><td rowspan="1" colspan="1">0.8715</td><td rowspan="1" colspan="1">0.5488</td><td rowspan="1" colspan="1">0.2607</td><td rowspan="1" colspan="1">0.087*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.8431 (8)</td><td rowspan="1" colspan="1">0.4549 (7)</td><td rowspan="1" colspan="1">0.2207 (5)</td><td rowspan="1" colspan="1">0.063 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H22</td><td rowspan="1" colspan="1">0.8084</td><td rowspan="1" colspan="1">0.4435</td><td rowspan="1" colspan="1">0.2403</td><td rowspan="1" colspan="1">0.076*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.9041 (6)</td><td rowspan="1" colspan="1">0.4266 (6)</td><td rowspan="1" colspan="1">0.1535 (4)</td><td rowspan="1" colspan="1">0.046 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.9158 (5)</td><td rowspan="1" colspan="1">0.3752 (6)</td><td rowspan="1" colspan="1">0.1129 (4)</td><td rowspan="1" colspan="1">0.043 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.7358 (7)</td><td rowspan="1" colspan="1">0.3868 (7)</td><td rowspan="1" colspan="1">0.0480 (5)</td><td rowspan="1" colspan="1">0.057 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H25</td><td rowspan="1" colspan="1">0.7775</td><td rowspan="1" colspan="1">0.3777</td><td rowspan="1" colspan="1">0.0361</td><td rowspan="1" colspan="1">0.068*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.6827 (7)</td><td rowspan="1" colspan="1">0.4185 (7)</td><td rowspan="1" colspan="1">0.0127 (5)</td><td rowspan="1" colspan="1">0.058 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H26</td><td rowspan="1" colspan="1">0.6883</td><td rowspan="1" colspan="1">0.4298</td><td rowspan="1" colspan="1">−0.0222</td><td rowspan="1" colspan="1">0.069*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.6220 (7)</td><td rowspan="1" colspan="1">0.4333 (7)</td><td rowspan="1" colspan="1">0.0292 (5)</td><td rowspan="1" colspan="1">0.059 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H27</td><td rowspan="1" colspan="1">0.5860</td><td rowspan="1" colspan="1">0.4561</td><td rowspan="1" colspan="1">0.0058</td><td rowspan="1" colspan="1">0.071*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.6129 (6)</td><td rowspan="1" colspan="1">0.4147 (6)</td><td rowspan="1" colspan="1">0.0813 (4)</td><td rowspan="1" colspan="1">0.044 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.5491 (6)</td><td rowspan="1" colspan="1">0.4251 (8)</td><td rowspan="1" colspan="1">0.1015 (5)</td><td rowspan="1" colspan="1">0.063 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H29</td><td rowspan="1" colspan="1">0.5109</td><td rowspan="1" colspan="1">0.4472</td><td rowspan="1" colspan="1">0.0800</td><td rowspan="1" colspan="1">0.076*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.5453 (6)</td><td rowspan="1" colspan="1">0.4023 (9)</td><td rowspan="1" colspan="1">0.1519 (6)</td><td rowspan="1" colspan="1">0.069 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H30</td><td rowspan="1" colspan="1">0.5036</td><td rowspan="1" colspan="1">0.4096</td><td rowspan="1" colspan="1">0.1643</td><td rowspan="1" colspan="1">0.083*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.6020 (5)</td><td rowspan="1" colspan="1">0.3676 (8)</td><td rowspan="1" colspan="1">0.1873 (5)</td><td rowspan="1" colspan="1">0.054 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.6007 (6)</td><td rowspan="1" colspan="1">0.3421 (9)</td><td rowspan="1" colspan="1">0.2395 (5)</td><td rowspan="1" colspan="1">0.067 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H32</td><td rowspan="1" colspan="1">0.5605</td><td rowspan="1" colspan="1">0.3479</td><td rowspan="1" colspan="1">0.2541</td><td rowspan="1" colspan="1">0.080*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.6570 (6)</td><td rowspan="1" colspan="1">0.3094 (8)</td><td rowspan="1" colspan="1">0.2688 (5)</td><td rowspan="1" colspan="1">0.060 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H33</td><td rowspan="1" colspan="1">0.6559</td><td rowspan="1" colspan="1">0.2934</td><td rowspan="1" colspan="1">0.3037</td><td rowspan="1" colspan="1">0.072*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.7170 (6)</td><td rowspan="1" colspan="1">0.2996 (7)</td><td rowspan="1" colspan="1">0.2464 (4)</td><td rowspan="1" colspan="1">0.049 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H34</td><td rowspan="1" colspan="1">0.7552</td><td rowspan="1" colspan="1">0.2753</td><td rowspan="1" colspan="1">0.2662</td><td rowspan="1" colspan="1">0.058*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.6646 (5)</td><td rowspan="1" colspan="1">0.3573 (6)</td><td rowspan="1" colspan="1">0.1679 (4)</td><td rowspan="1" colspan="1">0.036 (2)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.6705 (5)</td><td rowspan="1" colspan="1">0.3812 (6)</td><td rowspan="1" colspan="1">0.1147 (4)</td><td rowspan="1" colspan="1">0.036 (2)</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="d1e2390"><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">W1</td><td rowspan="1" colspan="1">0.0286 (2)</td><td rowspan="1" colspan="1">0.0352 (2)</td><td rowspan="1" colspan="1">0.0414 (2)</td><td rowspan="1" colspan="1">0.00378 (18)</td><td rowspan="1" colspan="1">0.00621 (17)</td><td rowspan="1" colspan="1">−0.00271 (19)</td></tr><tr><td rowspan="1" colspan="1">V1</td><td rowspan="1" colspan="1">0.0286 (2)</td><td rowspan="1" colspan="1">0.0352 (2)</td><td rowspan="1" colspan="1">0.0414 (2)</td><td rowspan="1" colspan="1">0.00378 (18)</td><td rowspan="1" colspan="1">0.00621 (17)</td><td rowspan="1" colspan="1">−0.00271 (19)</td></tr><tr><td rowspan="1" colspan="1">W2</td><td rowspan="1" colspan="1">0.0295 (2)</td><td rowspan="1" colspan="1">0.0391 (2)</td><td rowspan="1" colspan="1">0.0366 (2)</td><td rowspan="1" colspan="1">0.00004 (18)</td><td rowspan="1" colspan="1">0.00030 (17)</td><td rowspan="1" colspan="1">0.00294 (18)</td></tr><tr><td rowspan="1" colspan="1">V2</td><td rowspan="1" colspan="1">0.0295 (2)</td><td rowspan="1" colspan="1">0.0391 (2)</td><td rowspan="1" colspan="1">0.0366 (2)</td><td rowspan="1" colspan="1">0.00004 (18)</td><td rowspan="1" colspan="1">0.00030 (17)</td><td rowspan="1" colspan="1">0.00294 (18)</td></tr><tr><td rowspan="1" colspan="1">W3</td><td rowspan="1" colspan="1">0.0345 (2)</td><td rowspan="1" colspan="1">0.0374 (3)</td><td rowspan="1" colspan="1">0.0478 (3)</td><td rowspan="1" colspan="1">0.00344 (19)</td><td rowspan="1" colspan="1">−0.00085 (19)</td><td rowspan="1" colspan="1">0.0026 (2)</td></tr><tr><td rowspan="1" colspan="1">V3</td><td rowspan="1" colspan="1">0.0345 (2)</td><td rowspan="1" colspan="1">0.0374 (3)</td><td rowspan="1" colspan="1">0.0478 (3)</td><td rowspan="1" colspan="1">0.00344 (19)</td><td rowspan="1" colspan="1">−0.00085 (19)</td><td rowspan="1" colspan="1">0.0026 (2)</td></tr><tr><td rowspan="1" colspan="1">W4</td><td rowspan="1" colspan="1">0.0409 (3)</td><td rowspan="1" colspan="1">0.0558 (3)</td><td rowspan="1" colspan="1">0.0327 (2)</td><td rowspan="1" colspan="1">−0.0115 (2)</td><td rowspan="1" colspan="1">0.00890 (19)</td><td rowspan="1" colspan="1">0.0005 (2)</td></tr><tr><td rowspan="1" colspan="1">V4</td><td rowspan="1" colspan="1">0.0409 (3)</td><td rowspan="1" colspan="1">0.0558 (3)</td><td rowspan="1" colspan="1">0.0327 (2)</td><td rowspan="1" colspan="1">−0.0115 (2)</td><td rowspan="1" colspan="1">0.00890 (19)</td><td rowspan="1" colspan="1">0.0005 (2)</td></tr><tr><td rowspan="1" colspan="1">W5</td><td rowspan="1" colspan="1">0.0452 (3)</td><td rowspan="1" colspan="1">0.0292 (2)</td><td rowspan="1" colspan="1">0.0711 (3)</td><td rowspan="1" colspan="1">−0.0081 (2)</td><td rowspan="1" colspan="1">0.0181 (2)</td><td rowspan="1" colspan="1">−0.0074 (2)</td></tr><tr><td rowspan="1" colspan="1">V5</td><td rowspan="1" colspan="1">0.0452 (3)</td><td rowspan="1" colspan="1">0.0292 (2)</td><td rowspan="1" colspan="1">0.0711 (3)</td><td rowspan="1" colspan="1">−0.0081 (2)</td><td rowspan="1" colspan="1">0.0181 (2)</td><td rowspan="1" colspan="1">−0.0074 (2)</td></tr><tr><td rowspan="1" colspan="1">W6</td><td rowspan="1" colspan="1">0.0643 (3)</td><td rowspan="1" colspan="1">0.0444 (3)</td><td rowspan="1" colspan="1">0.0366 (2)</td><td rowspan="1" colspan="1">−0.0025 (2)</td><td rowspan="1" colspan="1">0.0124 (2)</td><td rowspan="1" colspan="1">−0.0138 (2)</td></tr><tr><td rowspan="1" colspan="1">V6</td><td rowspan="1" colspan="1">0.0643 (3)</td><td rowspan="1" colspan="1">0.0444 (3)</td><td rowspan="1" colspan="1">0.0366 (2)</td><td rowspan="1" colspan="1">−0.0025 (2)</td><td rowspan="1" colspan="1">0.0124 (2)</td><td rowspan="1" colspan="1">−0.0138 (2)</td></tr><tr><td rowspan="1" colspan="1">O1E</td><td rowspan="1" colspan="1">0.042 (5)</td><td rowspan="1" colspan="1">0.056 (5)</td><td rowspan="1" colspan="1">0.129 (8)</td><td rowspan="1" colspan="1">0.000 (4)</td><td rowspan="1" colspan="1">0.046 (5)</td><td rowspan="1" colspan="1">−0.017 (5)</td></tr><tr><td rowspan="1" colspan="1">O2E</td><td rowspan="1" colspan="1">0.047 (5)</td><td rowspan="1" colspan="1">0.093 (7)</td><td rowspan="1" colspan="1">0.044 (4)</td><td rowspan="1" colspan="1">−0.032 (5)</td><td rowspan="1" colspan="1">−0.013 (4)</td><td rowspan="1" colspan="1">−0.003 (4)</td></tr><tr><td rowspan="1" colspan="1">O3E</td><td rowspan="1" colspan="1">0.094 (7)</td><td rowspan="1" colspan="1">0.044 (5)</td><td rowspan="1" colspan="1">0.062 (5)</td><td rowspan="1" colspan="1">0.022 (5)</td><td rowspan="1" colspan="1">0.021 (5)</td><td rowspan="1" colspan="1">0.014 (4)</td></tr><tr><td rowspan="1" colspan="1">O4E</td><td rowspan="1" colspan="1">0.046 (4)</td><td rowspan="1" colspan="1">0.082 (6)</td><td rowspan="1" colspan="1">0.042 (4)</td><td rowspan="1" colspan="1">−0.008 (4)</td><td rowspan="1" colspan="1">0.010 (4)</td><td rowspan="1" colspan="1">0.019 (4)</td></tr><tr><td rowspan="1" colspan="1">O5E</td><td rowspan="1" colspan="1">0.042 (4)</td><td rowspan="1" colspan="1">0.029 (4)</td><td rowspan="1" colspan="1">0.079 (6)</td><td rowspan="1" colspan="1">−0.007 (3)</td><td rowspan="1" colspan="1">−0.003 (4)</td><td rowspan="1" colspan="1">−0.001 (4)</td></tr><tr><td rowspan="1" colspan="1">O6E</td><td rowspan="1" colspan="1">0.071 (6)</td><td rowspan="1" colspan="1">0.080 (7)</td><td rowspan="1" colspan="1">0.055 (5)</td><td rowspan="1" colspan="1">−0.003 (5)</td><td rowspan="1" colspan="1">0.005 (4)</td><td rowspan="1" colspan="1">−0.041 (5)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.077 (5)</td><td rowspan="1" colspan="1">0.044 (4)</td><td rowspan="1" colspan="1">0.034 (4)</td><td rowspan="1" colspan="1">−0.018 (4)</td><td rowspan="1" colspan="1">0.017 (4)</td><td rowspan="1" colspan="1">−0.006 (3)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.079 (6)</td><td rowspan="1" colspan="1">0.042 (4)</td><td rowspan="1" colspan="1">0.041 (4)</td><td rowspan="1" colspan="1">−0.023 (4)</td><td rowspan="1" colspan="1">0.021 (4)</td><td rowspan="1" colspan="1">−0.011 (3)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.084 (6)</td><td rowspan="1" colspan="1">0.053 (5)</td><td rowspan="1" colspan="1">0.062 (5)</td><td rowspan="1" colspan="1">−0.022 (5)</td><td rowspan="1" colspan="1">−0.038 (5)</td><td rowspan="1" colspan="1">0.019 (4)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.097 (7)</td><td rowspan="1" colspan="1">0.047 (5)</td><td rowspan="1" colspan="1">0.072 (6)</td><td rowspan="1" colspan="1">−0.027 (5)</td><td rowspan="1" colspan="1">−0.045 (5)</td><td rowspan="1" colspan="1">0.011 (4)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.077 (6)</td><td rowspan="1" colspan="1">0.043 (4)</td><td rowspan="1" colspan="1">0.043 (4)</td><td rowspan="1" colspan="1">−0.024 (4)</td><td rowspan="1" colspan="1">0.021 (4)</td><td rowspan="1" colspan="1">−0.004 (3)</td></tr><tr><td rowspan="1" colspan="1">O6A</td><td rowspan="1" colspan="1">0.024 (9)</td><td rowspan="1" colspan="1">0.051 (11)</td><td rowspan="1" colspan="1">0.039 (10)</td><td rowspan="1" colspan="1">−0.005 (7)</td><td rowspan="1" colspan="1">0.003 (7)</td><td rowspan="1" colspan="1">0.003 (8)</td></tr><tr><td rowspan="1" colspan="1">O6B</td><td rowspan="1" colspan="1">0.028 (9)</td><td rowspan="1" colspan="1">0.032 (9)</td><td rowspan="1" colspan="1">0.028 (9)</td><td rowspan="1" colspan="1">0.005 (7)</td><td rowspan="1" colspan="1">−0.002 (6)</td><td rowspan="1" colspan="1">0.006 (6)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.029 (4)</td><td rowspan="1" colspan="1">0.124 (9)</td><td rowspan="1" colspan="1">0.091 (7)</td><td rowspan="1" colspan="1">−0.010 (5)</td><td rowspan="1" colspan="1">0.010 (4)</td><td rowspan="1" colspan="1">−0.070 (6)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.081 (6)</td><td rowspan="1" colspan="1">0.050 (5)</td><td rowspan="1" colspan="1">0.066 (5)</td><td rowspan="1" colspan="1">−0.024 (5)</td><td rowspan="1" colspan="1">−0.039 (5)</td><td rowspan="1" colspan="1">0.019 (4)</td></tr><tr><td rowspan="1" colspan="1">O9A</td><td rowspan="1" colspan="1">0.019 (8)</td><td rowspan="1" colspan="1">0.043 (9)</td><td rowspan="1" colspan="1">0.031 (8)</td><td rowspan="1" colspan="1">0.003 (7)</td><td rowspan="1" colspan="1">−0.006 (6)</td><td rowspan="1" colspan="1">0.003 (7)</td></tr><tr><td rowspan="1" colspan="1">O9B</td><td rowspan="1" colspan="1">0.009 (7)</td><td rowspan="1" colspan="1">0.063 (11)</td><td rowspan="1" colspan="1">0.028 (8)</td><td rowspan="1" colspan="1">−0.004 (7)</td><td rowspan="1" colspan="1">−0.007 (5)</td><td rowspan="1" colspan="1">−0.003 (7)</td></tr><tr><td rowspan="1" colspan="1">O10</td><td rowspan="1" colspan="1">0.027 (4)</td><td rowspan="1" colspan="1">0.137 (9)</td><td rowspan="1" colspan="1">0.092 (7)</td><td rowspan="1" colspan="1">−0.007 (5)</td><td rowspan="1" colspan="1">0.008 (4)</td><td rowspan="1" colspan="1">−0.070 (7)</td></tr><tr><td rowspan="1" colspan="1">O11A</td><td rowspan="1" colspan="1">0.041 (10)</td><td rowspan="1" colspan="1">0.039 (11)</td><td rowspan="1" colspan="1">0.044 (12)</td><td rowspan="1" colspan="1">0.000 (8)</td><td rowspan="1" colspan="1">0.009 (8)</td><td rowspan="1" colspan="1">−0.012 (8)</td></tr><tr><td rowspan="1" colspan="1">O11B</td><td rowspan="1" colspan="1">0.044 (11)</td><td rowspan="1" colspan="1">0.045 (11)</td><td rowspan="1" colspan="1">0.029 (9)</td><td rowspan="1" colspan="1">0.006 (8)</td><td rowspan="1" colspan="1">0.019 (8)</td><td rowspan="1" colspan="1">−0.010 (7)</td></tr><tr><td rowspan="1" colspan="1">O12</td><td rowspan="1" colspan="1">0.033 (4)</td><td rowspan="1" colspan="1">0.112 (8)</td><td rowspan="1" colspan="1">0.095 (7)</td><td rowspan="1" colspan="1">−0.008 (5)</td><td rowspan="1" colspan="1">0.004 (4)</td><td rowspan="1" colspan="1">−0.068 (6)</td></tr><tr><td rowspan="1" colspan="1">P</td><td rowspan="1" colspan="1">0.0258 (15)</td><td rowspan="1" colspan="1">0.0167 (14)</td><td rowspan="1" colspan="1">0.0257 (15)</td><td rowspan="1" colspan="1">−0.0004 (12)</td><td rowspan="1" colspan="1">0.0030 (12)</td><td rowspan="1" colspan="1">−0.0015 (12)</td></tr><tr><td rowspan="1" colspan="1">O1C</td><td rowspan="1" colspan="1">0.027 (6)</td><td rowspan="1" colspan="1">0.031 (7)</td><td rowspan="1" colspan="1">0.022 (6)</td><td rowspan="1" colspan="1">0.001 (5)</td><td rowspan="1" colspan="1">−0.003 (5)</td><td rowspan="1" colspan="1">0.005 (5)</td></tr><tr><td rowspan="1" colspan="1">O3C</td><td rowspan="1" colspan="1">0.026 (6)</td><td rowspan="1" colspan="1">0.030 (7)</td><td rowspan="1" colspan="1">0.030 (6)</td><td rowspan="1" colspan="1">0.005 (5)</td><td rowspan="1" colspan="1">0.010 (5)</td><td rowspan="1" colspan="1">−0.004 (5)</td></tr><tr><td rowspan="1" colspan="1">O4C</td><td rowspan="1" colspan="1">0.020 (6)</td><td rowspan="1" colspan="1">0.038 (7)</td><td rowspan="1" colspan="1">0.025 (6)</td><td rowspan="1" colspan="1">0.000 (5)</td><td rowspan="1" colspan="1">0.008 (5)</td><td rowspan="1" colspan="1">−0.001 (5)</td></tr><tr><td rowspan="1" colspan="1">O2C</td><td rowspan="1" colspan="1">0.025 (6)</td><td rowspan="1" colspan="1">0.031 (7)</td><td rowspan="1" colspan="1">0.022 (6)</td><td rowspan="1" colspan="1">−0.009 (5)</td><td rowspan="1" colspan="1">−0.010 (5)</td><td rowspan="1" colspan="1">−0.006 (5)</td></tr><tr><td rowspan="1" colspan="1">O1W</td><td rowspan="1" colspan="1">0.109 (10)</td><td rowspan="1" colspan="1">0.069 (7)</td><td rowspan="1" colspan="1">0.129 (10)</td><td rowspan="1" colspan="1">0.024 (7)</td><td rowspan="1" colspan="1">0.057 (8)</td><td rowspan="1" colspan="1">0.007 (7)</td></tr><tr><td rowspan="1" colspan="1">Co</td><td rowspan="1" colspan="1">0.0363 (7)</td><td rowspan="1" colspan="1">0.0382 (8)</td><td rowspan="1" colspan="1">0.0355 (7)</td><td rowspan="1" colspan="1">0.0024 (6)</td><td rowspan="1" colspan="1">0.0067 (6)</td><td rowspan="1" colspan="1">0.0015 (6)</td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.036 (5)</td><td rowspan="1" colspan="1">0.074 (7)</td><td rowspan="1" colspan="1">0.045 (5)</td><td rowspan="1" colspan="1">0.006 (5)</td><td rowspan="1" colspan="1">0.013 (4)</td><td rowspan="1" colspan="1">−0.004 (5)</td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.047 (5)</td><td rowspan="1" colspan="1">0.048 (6)</td><td rowspan="1" colspan="1">0.048 (5)</td><td rowspan="1" colspan="1">0.002 (4)</td><td rowspan="1" colspan="1">0.014 (4)</td><td rowspan="1" colspan="1">0.000 (4)</td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.047 (5)</td><td rowspan="1" colspan="1">0.034 (5)</td><td rowspan="1" colspan="1">0.041 (5)</td><td rowspan="1" colspan="1">0.007 (4)</td><td rowspan="1" colspan="1">0.002 (4)</td><td rowspan="1" colspan="1">0.000 (4)</td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.070 (7)</td><td rowspan="1" colspan="1">0.051 (6)</td><td rowspan="1" colspan="1">0.039 (5)</td><td rowspan="1" colspan="1">0.017 (5)</td><td rowspan="1" colspan="1">0.009 (5)</td><td rowspan="1" colspan="1">−0.001 (4)</td></tr><tr><td rowspan="1" colspan="1">N5</td><td rowspan="1" colspan="1">0.041 (5)</td><td rowspan="1" colspan="1">0.036 (5)</td><td rowspan="1" colspan="1">0.035 (4)</td><td rowspan="1" colspan="1">−0.004 (4)</td><td rowspan="1" colspan="1">0.005 (4)</td><td rowspan="1" colspan="1">0.006 (4)</td></tr><tr><td rowspan="1" colspan="1">N6</td><td rowspan="1" colspan="1">0.035 (4)</td><td rowspan="1" colspan="1">0.043 (5)</td><td rowspan="1" colspan="1">0.030 (4)</td><td rowspan="1" colspan="1">0.006 (4)</td><td rowspan="1" colspan="1">0.000 (3)</td><td rowspan="1" colspan="1">−0.005 (4)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.048 (7)</td><td rowspan="1" colspan="1">0.091 (11)</td><td rowspan="1" colspan="1">0.056 (8)</td><td rowspan="1" colspan="1">0.008 (7)</td><td rowspan="1" colspan="1">0.017 (6)</td><td rowspan="1" colspan="1">0.000 (7)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.051 (8)</td><td rowspan="1" colspan="1">0.139 (17)</td><td rowspan="1" colspan="1">0.058 (9)</td><td rowspan="1" colspan="1">0.012 (10)</td><td rowspan="1" colspan="1">0.007 (7)</td><td rowspan="1" colspan="1">−0.007 (10)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.076 (11)</td><td rowspan="1" colspan="1">0.114 (15)</td><td rowspan="1" colspan="1">0.067 (10)</td><td rowspan="1" colspan="1">0.040 (11)</td><td rowspan="1" colspan="1">0.020 (8)</td><td rowspan="1" colspan="1">0.025 (10)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.070 (9)</td><td rowspan="1" colspan="1">0.067 (9)</td><td rowspan="1" colspan="1">0.048 (7)</td><td rowspan="1" colspan="1">0.029 (7)</td><td rowspan="1" colspan="1">0.017 (6)</td><td rowspan="1" colspan="1">0.013 (6)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.103 (12)</td><td rowspan="1" colspan="1">0.060 (9)</td><td rowspan="1" colspan="1">0.069 (9)</td><td rowspan="1" colspan="1">0.040 (9)</td><td rowspan="1" colspan="1">0.040 (9)</td><td rowspan="1" colspan="1">0.019 (7)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.099 (12)</td><td rowspan="1" colspan="1">0.052 (8)</td><td rowspan="1" colspan="1">0.078 (10)</td><td rowspan="1" colspan="1">0.022 (8)</td><td rowspan="1" colspan="1">0.042 (9)</td><td rowspan="1" colspan="1">0.000 (7)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.077 (9)</td><td rowspan="1" colspan="1">0.049 (7)</td><td rowspan="1" colspan="1">0.064 (8)</td><td rowspan="1" colspan="1">0.008 (7)</td><td rowspan="1" colspan="1">0.038 (7)</td><td rowspan="1" colspan="1">−0.007 (6)</td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.082 (10)</td><td rowspan="1" colspan="1">0.057 (9)</td><td rowspan="1" colspan="1">0.079 (10)</td><td rowspan="1" colspan="1">−0.015 (8)</td><td rowspan="1" colspan="1">0.037 (8)</td><td rowspan="1" colspan="1">−0.028 (8)</td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.080 (10)</td><td rowspan="1" colspan="1">0.081 (11)</td><td rowspan="1" colspan="1">0.053 (8)</td><td rowspan="1" colspan="1">−0.001 (8)</td><td rowspan="1" colspan="1">0.006 (7)</td><td rowspan="1" colspan="1">−0.028 (8)</td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.060 (8)</td><td rowspan="1" colspan="1">0.069 (9)</td><td rowspan="1" colspan="1">0.050 (7)</td><td rowspan="1" colspan="1">−0.020 (7)</td><td rowspan="1" colspan="1">0.007 (6)</td><td rowspan="1" colspan="1">−0.018 (6)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.054 (7)</td><td rowspan="1" colspan="1">0.045 (7)</td><td rowspan="1" colspan="1">0.044 (6)</td><td rowspan="1" colspan="1">0.008 (5)</td><td rowspan="1" colspan="1">0.023 (5)</td><td rowspan="1" colspan="1">0.002 (5)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.049 (7)</td><td rowspan="1" colspan="1">0.068 (9)</td><td rowspan="1" colspan="1">0.049 (7)</td><td rowspan="1" colspan="1">0.010 (6)</td><td rowspan="1" colspan="1">0.020 (6)</td><td rowspan="1" colspan="1">0.007 (6)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.053 (7)</td><td rowspan="1" colspan="1">0.041 (7)</td><td rowspan="1" colspan="1">0.062 (7)</td><td rowspan="1" colspan="1">0.007 (5)</td><td rowspan="1" colspan="1">0.013 (6)</td><td rowspan="1" colspan="1">−0.005 (6)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.044 (7)</td><td rowspan="1" colspan="1">0.064 (8)</td><td rowspan="1" colspan="1">0.068 (8)</td><td rowspan="1" colspan="1">0.020 (6)</td><td rowspan="1" colspan="1">0.005 (6)</td><td rowspan="1" colspan="1">−0.017 (7)</td></tr><tr><td rowspan="1" colspan="1">C15</td><td rowspan="1" colspan="1">0.041 (6)</td><td rowspan="1" colspan="1">0.064 (8)</td><td rowspan="1" colspan="1">0.066 (8)</td><td rowspan="1" colspan="1">0.017 (6)</td><td rowspan="1" colspan="1">0.007 (6)</td><td rowspan="1" colspan="1">−0.010 (7)</td></tr><tr><td rowspan="1" colspan="1">C16</td><td rowspan="1" colspan="1">0.040 (6)</td><td rowspan="1" colspan="1">0.054 (7)</td><td rowspan="1" colspan="1">0.058 (7)</td><td rowspan="1" colspan="1">0.018 (6)</td><td rowspan="1" colspan="1">0.005 (5)</td><td rowspan="1" colspan="1">0.012 (6)</td></tr><tr><td rowspan="1" colspan="1">C17</td><td rowspan="1" colspan="1">0.038 (6)</td><td rowspan="1" colspan="1">0.048 (7)</td><td rowspan="1" colspan="1">0.093 (10)</td><td rowspan="1" colspan="1">0.011 (6)</td><td rowspan="1" colspan="1">0.009 (6)</td><td rowspan="1" colspan="1">0.003 (7)</td></tr><tr><td rowspan="1" colspan="1">C18</td><td rowspan="1" colspan="1">0.040 (7)</td><td rowspan="1" colspan="1">0.043 (7)</td><td rowspan="1" colspan="1">0.102 (11)</td><td rowspan="1" colspan="1">0.006 (6)</td><td rowspan="1" colspan="1">−0.006 (7)</td><td rowspan="1" colspan="1">0.015 (7)</td></tr><tr><td rowspan="1" colspan="1">C19</td><td rowspan="1" colspan="1">0.048 (7)</td><td rowspan="1" colspan="1">0.044 (7)</td><td rowspan="1" colspan="1">0.070 (8)</td><td rowspan="1" colspan="1">0.012 (6)</td><td rowspan="1" colspan="1">−0.014 (6)</td><td rowspan="1" colspan="1">0.004 (6)</td></tr><tr><td rowspan="1" colspan="1">C20</td><td rowspan="1" colspan="1">0.065 (9)</td><td rowspan="1" colspan="1">0.054 (8)</td><td rowspan="1" colspan="1">0.068 (9)</td><td rowspan="1" colspan="1">0.010 (7)</td><td rowspan="1" colspan="1">−0.022 (7)</td><td rowspan="1" colspan="1">0.000 (7)</td></tr><tr><td rowspan="1" colspan="1">C21</td><td rowspan="1" colspan="1">0.097 (12)</td><td rowspan="1" colspan="1">0.055 (9)</td><td rowspan="1" colspan="1">0.057 (8)</td><td rowspan="1" colspan="1">0.024 (8)</td><td rowspan="1" colspan="1">−0.012 (8)</td><td rowspan="1" colspan="1">−0.012 (7)</td></tr><tr><td rowspan="1" colspan="1">C22</td><td rowspan="1" colspan="1">0.085 (10)</td><td rowspan="1" colspan="1">0.049 (8)</td><td rowspan="1" colspan="1">0.055 (7)</td><td rowspan="1" colspan="1">0.017 (7)</td><td rowspan="1" colspan="1">0.009 (7)</td><td rowspan="1" colspan="1">−0.006 (6)</td></tr><tr><td rowspan="1" colspan="1">C23</td><td rowspan="1" colspan="1">0.044 (6)</td><td rowspan="1" colspan="1">0.045 (6)</td><td rowspan="1" colspan="1">0.043 (6)</td><td rowspan="1" colspan="1">0.011 (5)</td><td rowspan="1" colspan="1">−0.005 (5)</td><td rowspan="1" colspan="1">0.005 (5)</td></tr><tr><td rowspan="1" colspan="1">C24</td><td rowspan="1" colspan="1">0.032 (5)</td><td rowspan="1" colspan="1">0.040 (6)</td><td rowspan="1" colspan="1">0.053 (6)</td><td rowspan="1" colspan="1">0.007 (5)</td><td rowspan="1" colspan="1">−0.005 (5)</td><td rowspan="1" colspan="1">−0.006 (5)</td></tr><tr><td rowspan="1" colspan="1">C25</td><td rowspan="1" colspan="1">0.068 (8)</td><td rowspan="1" colspan="1">0.059 (8)</td><td rowspan="1" colspan="1">0.044 (6)</td><td rowspan="1" colspan="1">−0.004 (7)</td><td rowspan="1" colspan="1">0.014 (6)</td><td rowspan="1" colspan="1">0.007 (6)</td></tr><tr><td rowspan="1" colspan="1">C26</td><td rowspan="1" colspan="1">0.068 (8)</td><td rowspan="1" colspan="1">0.057 (8)</td><td rowspan="1" colspan="1">0.046 (7)</td><td rowspan="1" colspan="1">0.004 (6)</td><td rowspan="1" colspan="1">0.005 (6)</td><td rowspan="1" colspan="1">0.029 (6)</td></tr><tr><td rowspan="1" colspan="1">C27</td><td rowspan="1" colspan="1">0.058 (8)</td><td rowspan="1" colspan="1">0.049 (7)</td><td rowspan="1" colspan="1">0.060 (8)</td><td rowspan="1" colspan="1">−0.010 (6)</td><td rowspan="1" colspan="1">−0.014 (6)</td><td rowspan="1" colspan="1">0.024 (6)</td></tr><tr><td rowspan="1" colspan="1">C28</td><td rowspan="1" colspan="1">0.044 (6)</td><td rowspan="1" colspan="1">0.038 (6)</td><td rowspan="1" colspan="1">0.044 (6)</td><td rowspan="1" colspan="1">−0.010 (5)</td><td rowspan="1" colspan="1">−0.010 (5)</td><td rowspan="1" colspan="1">0.001 (5)</td></tr><tr><td rowspan="1" colspan="1">C29</td><td rowspan="1" colspan="1">0.032 (6)</td><td rowspan="1" colspan="1">0.083 (10)</td><td rowspan="1" colspan="1">0.068 (8)</td><td rowspan="1" colspan="1">0.004 (6)</td><td rowspan="1" colspan="1">−0.010 (6)</td><td rowspan="1" colspan="1">0.013 (7)</td></tr><tr><td rowspan="1" colspan="1">C30</td><td rowspan="1" colspan="1">0.030 (6)</td><td rowspan="1" colspan="1">0.104 (12)</td><td rowspan="1" colspan="1">0.069 (9)</td><td rowspan="1" colspan="1">0.016 (7)</td><td rowspan="1" colspan="1">−0.001 (6)</td><td rowspan="1" colspan="1">−0.006 (8)</td></tr><tr><td rowspan="1" colspan="1">C31</td><td rowspan="1" colspan="1">0.030 (5)</td><td rowspan="1" colspan="1">0.085 (9)</td><td rowspan="1" colspan="1">0.047 (6)</td><td rowspan="1" colspan="1">−0.006 (6)</td><td rowspan="1" colspan="1">0.010 (5)</td><td rowspan="1" colspan="1">−0.012 (6)</td></tr><tr><td rowspan="1" colspan="1">C32</td><td rowspan="1" colspan="1">0.037 (6)</td><td rowspan="1" colspan="1">0.116 (12)</td><td rowspan="1" colspan="1">0.050 (7)</td><td rowspan="1" colspan="1">0.001 (7)</td><td rowspan="1" colspan="1">0.015 (6)</td><td rowspan="1" colspan="1">−0.005 (7)</td></tr><tr><td rowspan="1" colspan="1">C33</td><td rowspan="1" colspan="1">0.052 (7)</td><td rowspan="1" colspan="1">0.093 (10)</td><td rowspan="1" colspan="1">0.036 (6)</td><td rowspan="1" colspan="1">−0.010 (7)</td><td rowspan="1" colspan="1">0.010 (5)</td><td rowspan="1" colspan="1">0.006 (6)</td></tr><tr><td rowspan="1" colspan="1">C34</td><td rowspan="1" colspan="1">0.044 (6)</td><td rowspan="1" colspan="1">0.069 (8)</td><td rowspan="1" colspan="1">0.031 (5)</td><td rowspan="1" colspan="1">0.001 (6)</td><td rowspan="1" colspan="1">0.005 (5)</td><td rowspan="1" colspan="1">0.001 (5)</td></tr><tr><td rowspan="1" colspan="1">C35</td><td rowspan="1" colspan="1">0.032 (5)</td><td rowspan="1" colspan="1">0.037 (5)</td><td rowspan="1" colspan="1">0.038 (5)</td><td rowspan="1" colspan="1">−0.002 (4)</td><td rowspan="1" colspan="1">0.002 (4)</td><td rowspan="1" colspan="1">0.002 (4)</td></tr><tr><td rowspan="1" colspan="1">C36</td><td rowspan="1" colspan="1">0.030 (5)</td><td rowspan="1" colspan="1">0.035 (5)</td><td rowspan="1" colspan="1">0.041 (5)</td><td rowspan="1" colspan="1">−0.010 (4)</td><td rowspan="1" colspan="1">−0.004 (4)</td><td rowspan="1" colspan="1">−0.002 (4)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e3867"><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">W1—O1E</td><td rowspan="1" colspan="1">1.677 (7)</td><td rowspan="1" colspan="1">N2—C11</td><td rowspan="1" colspan="1">1.355 (14)</td></tr><tr><td rowspan="1" colspan="1">W1—O4</td><td rowspan="1" colspan="1">1.880 (8)</td><td rowspan="1" colspan="1">N3—C13</td><td rowspan="1" colspan="1">1.342 (13)</td></tr><tr><td rowspan="1" colspan="1">W1—O2</td><td rowspan="1" colspan="1">1.895 (7)</td><td rowspan="1" colspan="1">N3—C24</td><td rowspan="1" colspan="1">1.350 (13)</td></tr><tr><td rowspan="1" colspan="1">W1—O3</td><td rowspan="1" colspan="1">1.909 (8)</td><td rowspan="1" colspan="1">N4—C22</td><td rowspan="1" colspan="1">1.325 (14)</td></tr><tr><td rowspan="1" colspan="1">W1—O1</td><td rowspan="1" colspan="1">1.912 (7)</td><td rowspan="1" colspan="1">N4—C23</td><td rowspan="1" colspan="1">1.357 (15)</td></tr><tr><td rowspan="1" colspan="1">W1—O4C</td><td rowspan="1" colspan="1">2.481 (11)</td><td rowspan="1" colspan="1">N5—C25</td><td rowspan="1" colspan="1">1.323 (13)</td></tr><tr><td rowspan="1" colspan="1">W2—O2E</td><td rowspan="1" colspan="1">1.672 (7)</td><td rowspan="1" colspan="1">N5—C36</td><td rowspan="1" colspan="1">1.352 (12)</td></tr><tr><td rowspan="1" colspan="1">W2—O1</td><td rowspan="1" colspan="1">1.893 (7)</td><td rowspan="1" colspan="1">N6—C34</td><td rowspan="1" colspan="1">1.328 (13)</td></tr><tr><td rowspan="1" colspan="1">W2—O5</td><td rowspan="1" colspan="1">1.917 (7)</td><td rowspan="1" colspan="1">N6—C35</td><td rowspan="1" colspan="1">1.348 (12)</td></tr><tr><td rowspan="1" colspan="1">W2—O6A</td><td rowspan="1" colspan="1">1.917 (18)</td><td rowspan="1" colspan="1">C1—C2</td><td rowspan="1" colspan="1">1.40 (2)</td></tr><tr><td rowspan="1" colspan="1">W2—O9A</td><td rowspan="1" colspan="1">1.971 (15)</td><td rowspan="1" colspan="1">C1—H1</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W2—O4C</td><td rowspan="1" colspan="1">2.526 (12)</td><td rowspan="1" colspan="1">C2—C3</td><td rowspan="1" colspan="1">1.35 (2)</td></tr><tr><td rowspan="1" colspan="1">W3—O3E</td><td rowspan="1" colspan="1">1.667 (8)</td><td rowspan="1" colspan="1">C2—H2</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W3—O5</td><td rowspan="1" colspan="1">1.873 (7)</td><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.42 (2)</td></tr><tr><td rowspan="1" colspan="1">W3—O2</td><td rowspan="1" colspan="1">1.886 (7)</td><td rowspan="1" colspan="1">C3—H3</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W3—O12</td><td rowspan="1" colspan="1">1.893 (8)</td><td rowspan="1" colspan="1">C4—C12</td><td rowspan="1" colspan="1">1.373 (17)</td></tr><tr><td rowspan="1" colspan="1">W3—O10</td><td rowspan="1" colspan="1">1.896 (8)</td><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.45 (2)</td></tr><tr><td rowspan="1" colspan="1">W3—O1C<sup>i</sup></td><td rowspan="1" colspan="1">2.396 (11)</td><td rowspan="1" colspan="1">C5—C6</td><td rowspan="1" colspan="1">1.33 (2)</td></tr><tr><td rowspan="1" colspan="1">W3—O4C</td><td rowspan="1" colspan="1">2.473 (12)</td><td rowspan="1" colspan="1">C5—H5</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W4—O4E</td><td rowspan="1" colspan="1">1.676 (7)</td><td rowspan="1" colspan="1">C6—C7</td><td rowspan="1" colspan="1">1.45 (2)</td></tr><tr><td rowspan="1" colspan="1">W4—O3</td><td rowspan="1" colspan="1">1.875 (9)</td><td rowspan="1" colspan="1">C6—H6</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W4—O7</td><td rowspan="1" colspan="1">1.887 (8)</td><td rowspan="1" colspan="1">C7—C11</td><td rowspan="1" colspan="1">1.412 (17)</td></tr><tr><td rowspan="1" colspan="1">W4—O10<sup>i</sup></td><td rowspan="1" colspan="1">1.897 (9)</td><td rowspan="1" colspan="1">C7—C8</td><td rowspan="1" colspan="1">1.41 (2)</td></tr><tr><td rowspan="1" colspan="1">W4—O8</td><td rowspan="1" colspan="1">1.905 (8)</td><td rowspan="1" colspan="1">C8—C9</td><td rowspan="1" colspan="1">1.35 (2)</td></tr><tr><td rowspan="1" colspan="1">W4—O1C</td><td rowspan="1" colspan="1">2.451 (12)</td><td rowspan="1" colspan="1">C8—H8</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W5—O5E</td><td rowspan="1" colspan="1">1.669 (7)</td><td rowspan="1" colspan="1">C9—C10</td><td rowspan="1" colspan="1">1.344 (19)</td></tr><tr><td rowspan="1" colspan="1">W5—O6A<sup>i</sup></td><td rowspan="1" colspan="1">1.750 (18)</td><td rowspan="1" colspan="1">C9—H9</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W5—O12</td><td rowspan="1" colspan="1">1.897 (9)</td><td rowspan="1" colspan="1">C10—H10</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W5—O7<sup>i</sup></td><td rowspan="1" colspan="1">1.908 (8)</td><td rowspan="1" colspan="1">C11—C12</td><td rowspan="1" colspan="1">1.421 (17)</td></tr><tr><td rowspan="1" colspan="1">W5—O11A</td><td rowspan="1" colspan="1">2.012 (19)</td><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.401 (17)</td></tr><tr><td rowspan="1" colspan="1">W5—O1C<sup>i</sup></td><td rowspan="1" colspan="1">2.494 (12)</td><td rowspan="1" colspan="1">C13—H13</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W6—O6E</td><td rowspan="1" colspan="1">1.673 (7)</td><td rowspan="1" colspan="1">C14—C15</td><td rowspan="1" colspan="1">1.376 (18)</td></tr><tr><td rowspan="1" colspan="1">W6—O4</td><td rowspan="1" colspan="1">1.885 (9)</td><td rowspan="1" colspan="1">C14—H14</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W6—O8</td><td rowspan="1" colspan="1">1.887 (8)</td><td rowspan="1" colspan="1">C15—C16</td><td rowspan="1" colspan="1">1.410 (17)</td></tr><tr><td rowspan="1" colspan="1">W6—O11A</td><td rowspan="1" colspan="1">1.96 (2)</td><td rowspan="1" colspan="1">C15—H15</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">W6—O9A<sup>i</sup></td><td rowspan="1" colspan="1">2.085 (14)</td><td rowspan="1" colspan="1">C16—C24</td><td rowspan="1" colspan="1">1.426 (16)</td></tr><tr><td rowspan="1" colspan="1">O6A—W5<sup>i</sup></td><td rowspan="1" colspan="1">1.750 (18)</td><td rowspan="1" colspan="1">C16—C17</td><td rowspan="1" colspan="1">1.429 (17)</td></tr><tr><td rowspan="1" colspan="1">O6B—V5<sup>i</sup></td><td rowspan="1" colspan="1">2.064 (15)</td><td rowspan="1" colspan="1">C17—C18</td><td rowspan="1" colspan="1">1.342 (18)</td></tr><tr><td rowspan="1" colspan="1">O7—V5<sup>i</sup></td><td rowspan="1" colspan="1">1.908 (8)</td><td rowspan="1" colspan="1">C17—H17</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O7—W5<sup>i</sup></td><td rowspan="1" colspan="1">1.908 (8)</td><td rowspan="1" colspan="1">C18—C19</td><td rowspan="1" colspan="1">1.429 (19)</td></tr><tr><td rowspan="1" colspan="1">O9A—W6<sup>i</sup></td><td rowspan="1" colspan="1">2.085 (14)</td><td rowspan="1" colspan="1">C18—H18</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O9B—V6<sup>i</sup></td><td rowspan="1" colspan="1">1.746 (15)</td><td rowspan="1" colspan="1">C19—C23</td><td rowspan="1" colspan="1">1.397 (17)</td></tr><tr><td rowspan="1" colspan="1">O10—V4<sup>i</sup></td><td rowspan="1" colspan="1">1.897 (9)</td><td rowspan="1" colspan="1">C19—C20</td><td rowspan="1" colspan="1">1.417 (19)</td></tr><tr><td rowspan="1" colspan="1">O10—W4<sup>i</sup></td><td rowspan="1" colspan="1">1.897 (9)</td><td rowspan="1" colspan="1">C20—C21</td><td rowspan="1" colspan="1">1.36 (2)</td></tr><tr><td rowspan="1" colspan="1">P—O4C</td><td rowspan="1" colspan="1">1.481 (11)</td><td rowspan="1" colspan="1">C20—H20</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P—O4C<sup>i</sup></td><td rowspan="1" colspan="1">1.481 (11)</td><td rowspan="1" colspan="1">C21—C22</td><td rowspan="1" colspan="1">1.37 (2)</td></tr><tr><td rowspan="1" colspan="1">P—O3C</td><td rowspan="1" colspan="1">1.530 (11)</td><td rowspan="1" colspan="1">C21—H21</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P—O3C<sup>i</sup></td><td rowspan="1" colspan="1">1.530 (11)</td><td rowspan="1" colspan="1">C22—H22</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P—O1C<sup>i</sup></td><td rowspan="1" colspan="1">1.554 (12)</td><td rowspan="1" colspan="1">C23—C24</td><td rowspan="1" colspan="1">1.430 (15)</td></tr><tr><td rowspan="1" colspan="1">P—O1C</td><td rowspan="1" colspan="1">1.554 (12)</td><td rowspan="1" colspan="1">C25—C26</td><td rowspan="1" colspan="1">1.366 (16)</td></tr><tr><td rowspan="1" colspan="1">P—O2C</td><td rowspan="1" colspan="1">1.582 (11)</td><td rowspan="1" colspan="1">C25—H25</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">1.582 (11)</td><td rowspan="1" colspan="1">C26—C27</td><td rowspan="1" colspan="1">1.347 (18)</td></tr><tr><td rowspan="1" colspan="1">O1C—O4C<sup>i</sup></td><td rowspan="1" colspan="1">1.698 (16)</td><td rowspan="1" colspan="1">C26—H26</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O1C—W3<sup>i</sup></td><td rowspan="1" colspan="1">2.396 (11)</td><td rowspan="1" colspan="1">C27—C28</td><td rowspan="1" colspan="1">1.399 (16)</td></tr><tr><td rowspan="1" colspan="1">O1C—W5<sup>i</sup></td><td rowspan="1" colspan="1">2.494 (12)</td><td rowspan="1" colspan="1">C27—H27</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O4C—O1C<sup>i</sup></td><td rowspan="1" colspan="1">1.698 (16)</td><td rowspan="1" colspan="1">C28—C36</td><td rowspan="1" colspan="1">1.413 (14)</td></tr><tr><td rowspan="1" colspan="1">O2C—V6<sup>i</sup></td><td rowspan="1" colspan="1">2.453 (12)</td><td rowspan="1" colspan="1">C28—C29</td><td rowspan="1" colspan="1">1.436 (17)</td></tr><tr><td rowspan="1" colspan="1">O2C—V5<sup>i</sup></td><td rowspan="1" colspan="1">2.462 (12)</td><td rowspan="1" colspan="1">C29—C30</td><td rowspan="1" colspan="1">1.351 (18)</td></tr><tr><td rowspan="1" colspan="1">O1W—H1W1</td><td rowspan="1" colspan="1">0.851 (10)</td><td rowspan="1" colspan="1">C29—H29</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">O1W—H2W1</td><td rowspan="1" colspan="1">0.851 (10)</td><td rowspan="1" colspan="1">C30—C31</td><td rowspan="1" colspan="1">1.436 (17)</td></tr><tr><td rowspan="1" colspan="1">Co—N3</td><td rowspan="1" colspan="1">2.053 (9)</td><td rowspan="1" colspan="1">C30—H30</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Co—N6</td><td rowspan="1" colspan="1">2.060 (8)</td><td rowspan="1" colspan="1">C31—C32</td><td rowspan="1" colspan="1">1.398 (17)</td></tr><tr><td rowspan="1" colspan="1">Co—N1</td><td rowspan="1" colspan="1">2.066 (10)</td><td rowspan="1" colspan="1">C31—C35</td><td rowspan="1" colspan="1">1.406 (14)</td></tr><tr><td rowspan="1" colspan="1">Co—N4</td><td rowspan="1" colspan="1">2.066 (11)</td><td rowspan="1" colspan="1">C32—C33</td><td rowspan="1" colspan="1">1.346 (17)</td></tr><tr><td rowspan="1" colspan="1">Co—N2</td><td rowspan="1" colspan="1">2.078 (10)</td><td rowspan="1" colspan="1">C32—H32</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">Co—N5</td><td rowspan="1" colspan="1">2.085 (8)</td><td rowspan="1" colspan="1">C33—C34</td><td rowspan="1" colspan="1">1.398 (16)</td></tr><tr><td rowspan="1" colspan="1">N1—C1</td><td rowspan="1" colspan="1">1.318 (16)</td><td rowspan="1" colspan="1">C33—H33</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N1—C12</td><td rowspan="1" colspan="1">1.369 (16)</td><td rowspan="1" colspan="1">C34—H34</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 (14)</td><td rowspan="1" colspan="1">C35—C36</td><td rowspan="1" colspan="1">1.432 (14)</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">O1E—W1—O4</td><td rowspan="1" colspan="1">102.0 (5)</td><td rowspan="1" colspan="1">W3—O4C—W1</td><td rowspan="1" colspan="1">91.2 (4)</td></tr><tr><td rowspan="1" colspan="1">O1E—W1—O2</td><td rowspan="1" colspan="1">101.1 (4)</td><td rowspan="1" colspan="1">P—O4C—W2</td><td rowspan="1" colspan="1">123.5 (7)</td></tr><tr><td rowspan="1" colspan="1">O4—W1—O2</td><td rowspan="1" colspan="1">89.3 (4)</td><td rowspan="1" colspan="1">O1C<sup>i</sup>—O4C—W2</td><td rowspan="1" colspan="1">129.3 (7)</td></tr><tr><td rowspan="1" colspan="1">O1E—W1—O3</td><td rowspan="1" colspan="1">102.3 (5)</td><td rowspan="1" colspan="1">W3—O4C—W2</td><td rowspan="1" colspan="1">90.2 (4)</td></tr><tr><td rowspan="1" colspan="1">O4—W1—O3</td><td rowspan="1" colspan="1">87.7 (3)</td><td rowspan="1" colspan="1">W1—O4C—W2</td><td rowspan="1" colspan="1">90.8 (4)</td></tr><tr><td rowspan="1" colspan="1">O2—W1—O3</td><td rowspan="1" colspan="1">156.6 (4)</td><td rowspan="1" colspan="1">P—O2C—V6<sup>i</sup></td><td rowspan="1" colspan="1">122.1 (6)</td></tr><tr><td rowspan="1" colspan="1">O1E—W1—O1</td><td rowspan="1" colspan="1">101.4 (4)</td><td rowspan="1" colspan="1">P—O2C—V5<sup>i</sup></td><td rowspan="1" colspan="1">120.4 (6)</td></tr><tr><td rowspan="1" colspan="1">O4—W1—O1</td><td rowspan="1" colspan="1">156.7 (4)</td><td rowspan="1" colspan="1">V6<sup>i</sup>—O2C—V5<sup>i</sup></td><td rowspan="1" colspan="1">91.7 (4)</td></tr><tr><td rowspan="1" colspan="1">O2—W1—O1</td><td rowspan="1" colspan="1">86.5 (3)</td><td rowspan="1" colspan="1">H1W1—O1W—H2W1</td><td rowspan="1" colspan="1">116 (2)</td></tr><tr><td rowspan="1" colspan="1">O3—W1—O1</td><td rowspan="1" colspan="1">87.1 (3)</td><td rowspan="1" colspan="1">N3—Co—N6</td><td rowspan="1" colspan="1">170.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O1E—W1—O4C</td><td rowspan="1" colspan="1">159.7 (5)</td><td rowspan="1" colspan="1">N3—Co—N1</td><td rowspan="1" colspan="1">95.4 (3)</td></tr><tr><td rowspan="1" colspan="1">O4—W1—O4C</td><td rowspan="1" colspan="1">92.4 (5)</td><td rowspan="1" colspan="1">N6—Co—N1</td><td rowspan="1" colspan="1">93.8 (3)</td></tr><tr><td rowspan="1" colspan="1">O2—W1—O4C</td><td rowspan="1" colspan="1">64.5 (4)</td><td rowspan="1" colspan="1">N3—Co—N4</td><td rowspan="1" colspan="1">80.0 (4)</td></tr><tr><td rowspan="1" colspan="1">O3—W1—O4C</td><td rowspan="1" colspan="1">92.4 (4)</td><td rowspan="1" colspan="1">N6—Co—N4</td><td rowspan="1" colspan="1">97.0 (4)</td></tr><tr><td rowspan="1" colspan="1">O1—W1—O4C</td><td rowspan="1" colspan="1">65.1 (4)</td><td rowspan="1" colspan="1">N1—Co—N4</td><td rowspan="1" colspan="1">94.0 (4)</td></tr><tr><td rowspan="1" colspan="1">O2E—W2—O1</td><td rowspan="1" colspan="1">102.2 (4)</td><td rowspan="1" colspan="1">N3—Co—N2</td><td rowspan="1" colspan="1">97.5 (3)</td></tr><tr><td rowspan="1" colspan="1">O2E—W2—O5</td><td rowspan="1" colspan="1">101.8 (4)</td><td rowspan="1" colspan="1">N6—Co—N2</td><td rowspan="1" colspan="1">86.3 (3)</td></tr><tr><td rowspan="1" colspan="1">O1—W2—O5</td><td rowspan="1" colspan="1">87.4 (3)</td><td rowspan="1" colspan="1">N1—Co—N2</td><td rowspan="1" colspan="1">80.6 (4)</td></tr><tr><td rowspan="1" colspan="1">O2E—W2—O6A</td><td rowspan="1" colspan="1">112.9 (6)</td><td rowspan="1" colspan="1">N4—Co—N2</td><td rowspan="1" colspan="1">173.9 (4)</td></tr><tr><td rowspan="1" colspan="1">O1—W2—O6A</td><td rowspan="1" colspan="1">83.5 (6)</td><td rowspan="1" colspan="1">N3—Co—N5</td><td rowspan="1" colspan="1">90.9 (3)</td></tr><tr><td rowspan="1" colspan="1">O5—W2—O6A</td><td rowspan="1" colspan="1">145.3 (6)</td><td rowspan="1" colspan="1">N6—Co—N5</td><td rowspan="1" colspan="1">80.1 (3)</td></tr><tr><td rowspan="1" colspan="1">O2E—W2—O9A</td><td rowspan="1" colspan="1">91.4 (5)</td><td rowspan="1" colspan="1">N1—Co—N5</td><td rowspan="1" colspan="1">171.6 (4)</td></tr><tr><td rowspan="1" colspan="1">O1—W2—O9A</td><td rowspan="1" colspan="1">166.4 (5)</td><td rowspan="1" colspan="1">N4—Co—N5</td><td rowspan="1" colspan="1">92.5 (4)</td></tr><tr><td rowspan="1" colspan="1">O5—W2—O9A</td><td rowspan="1" colspan="1">90.3 (5)</td><td rowspan="1" colspan="1">N2—Co—N5</td><td rowspan="1" colspan="1">93.1 (4)</td></tr><tr><td rowspan="1" colspan="1">O6A—W2—O9A</td><td rowspan="1" colspan="1">90.8 (7)</td><td rowspan="1" colspan="1">C1—N1—C12</td><td rowspan="1" colspan="1">117.9 (12)</td></tr><tr><td rowspan="1" colspan="1">O2E—W2—O4C</td><td rowspan="1" colspan="1">160.0 (4)</td><td rowspan="1" colspan="1">C1—N1—Co</td><td rowspan="1" colspan="1">129.0 (10)</td></tr><tr><td rowspan="1" colspan="1">O1—W2—O4C</td><td rowspan="1" colspan="1">64.3 (3)</td><td rowspan="1" colspan="1">C12—N1—Co</td><td rowspan="1" colspan="1">112.9 (8)</td></tr><tr><td rowspan="1" colspan="1">O5—W2—O4C</td><td rowspan="1" colspan="1">64.5 (4)</td><td rowspan="1" colspan="1">C10—N2—C11</td><td rowspan="1" colspan="1">118.0 (11)</td></tr><tr><td rowspan="1" colspan="1">O6A—W2—O4C</td><td rowspan="1" colspan="1">81.4 (6)</td><td rowspan="1" colspan="1">C10—N2—Co</td><td rowspan="1" colspan="1">130.3 (9)</td></tr><tr><td rowspan="1" colspan="1">O9A—W2—O4C</td><td rowspan="1" colspan="1">102.7 (5)</td><td rowspan="1" colspan="1">C11—N2—Co</td><td rowspan="1" colspan="1">111.2 (8)</td></tr><tr><td rowspan="1" colspan="1">O3E—W3—O5</td><td rowspan="1" colspan="1">100.9 (4)</td><td rowspan="1" colspan="1">C13—N3—C24</td><td rowspan="1" colspan="1">118.0 (10)</td></tr><tr><td rowspan="1" colspan="1">O3E—W3—O2</td><td rowspan="1" colspan="1">100.0 (4)</td><td rowspan="1" colspan="1">C13—N3—Co</td><td rowspan="1" colspan="1">128.4 (8)</td></tr><tr><td rowspan="1" colspan="1">O5—W3—O2</td><td rowspan="1" colspan="1">88.3 (3)</td><td rowspan="1" colspan="1">C24—N3—Co</td><td rowspan="1" colspan="1">113.4 (7)</td></tr><tr><td rowspan="1" colspan="1">O3E—W3—O12</td><td rowspan="1" colspan="1">101.7 (5)</td><td rowspan="1" colspan="1">C22—N4—C23</td><td rowspan="1" colspan="1">117.6 (12)</td></tr><tr><td rowspan="1" colspan="1">O5—W3—O12</td><td rowspan="1" colspan="1">157.3 (4)</td><td rowspan="1" colspan="1">C22—N4—Co</td><td rowspan="1" colspan="1">129.5 (10)</td></tr><tr><td rowspan="1" colspan="1">O2—W3—O12</td><td rowspan="1" colspan="1">87.4 (4)</td><td rowspan="1" colspan="1">C23—N4—Co</td><td rowspan="1" colspan="1">112.8 (7)</td></tr><tr><td rowspan="1" colspan="1">O3E—W3—O10</td><td rowspan="1" colspan="1">102.5 (5)</td><td rowspan="1" colspan="1">C25—N5—C36</td><td rowspan="1" colspan="1">117.2 (9)</td></tr><tr><td rowspan="1" colspan="1">O5—W3—O10</td><td rowspan="1" colspan="1">88.7 (4)</td><td rowspan="1" colspan="1">C25—N5—Co</td><td rowspan="1" colspan="1">130.4 (8)</td></tr><tr><td rowspan="1" colspan="1">O2—W3—O10</td><td rowspan="1" colspan="1">157.5 (5)</td><td rowspan="1" colspan="1">C36—N5—Co</td><td rowspan="1" colspan="1">112.2 (6)</td></tr><tr><td rowspan="1" colspan="1">O12—W3—O10</td><td rowspan="1" colspan="1">86.8 (4)</td><td rowspan="1" colspan="1">C34—N6—C35</td><td rowspan="1" colspan="1">119.1 (9)</td></tr><tr><td rowspan="1" colspan="1">O3E—W3—O1C<sup>i</sup></td><td rowspan="1" colspan="1">159.8 (4)</td><td rowspan="1" colspan="1">C34—N6—Co</td><td rowspan="1" colspan="1">127.5 (7)</td></tr><tr><td rowspan="1" colspan="1">O5—W3—O1C<sup>i</sup></td><td rowspan="1" colspan="1">93.8 (4)</td><td rowspan="1" colspan="1">C35—N6—Co</td><td rowspan="1" colspan="1">113.2 (6)</td></tr><tr><td rowspan="1" colspan="1">O2—W3—O1C<sup>i</sup></td><td rowspan="1" colspan="1">94.0 (4)</td><td rowspan="1" colspan="1">N1—C1—C2</td><td rowspan="1" colspan="1">123.2 (15)</td></tr><tr><td rowspan="1" colspan="1">O12—W3—O1C<sup>i</sup></td><td rowspan="1" colspan="1">64.3 (4)</td><td rowspan="1" colspan="1">N1—C1—H1</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">O10—W3—O1C<sup>i</sup></td><td rowspan="1" colspan="1">63.9 (5)</td><td rowspan="1" colspan="1">C2—C1—H1</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">O3E—W3—O4C</td><td rowspan="1" colspan="1">159.3 (4)</td><td rowspan="1" colspan="1">C3—C2—C1</td><td rowspan="1" colspan="1">118.6 (15)</td></tr><tr><td rowspan="1" colspan="1">O5—W3—O4C</td><td rowspan="1" colspan="1">66.2 (4)</td><td rowspan="1" colspan="1">C3—C2—H2</td><td rowspan="1" colspan="1">120.7</td></tr><tr><td rowspan="1" colspan="1">O2—W3—O4C</td><td rowspan="1" colspan="1">64.8 (4)</td><td rowspan="1" colspan="1">C1—C2—H2</td><td rowspan="1" colspan="1">120.7</td></tr><tr><td rowspan="1" colspan="1">O12—W3—O4C</td><td rowspan="1" colspan="1">91.9 (5)</td><td rowspan="1" colspan="1">C2—C3—C4</td><td rowspan="1" colspan="1">120.0 (15)</td></tr><tr><td rowspan="1" colspan="1">O10—W3—O4C</td><td rowspan="1" colspan="1">93.7 (5)</td><td rowspan="1" colspan="1">C2—C3—H3</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">O1C<sup>i</sup>—W3—O4C</td><td rowspan="1" colspan="1">40.8 (4)</td><td rowspan="1" colspan="1">C4—C3—H3</td><td rowspan="1" colspan="1">120.0</td></tr><tr><td rowspan="1" colspan="1">O4E—W4—O3</td><td rowspan="1" colspan="1">103.0 (4)</td><td rowspan="1" colspan="1">C12—C4—C3</td><td rowspan="1" colspan="1">117.4 (14)</td></tr><tr><td rowspan="1" colspan="1">O4E—W4—O7</td><td rowspan="1" colspan="1">101.6 (5)</td><td rowspan="1" colspan="1">C12—C4—C5</td><td rowspan="1" colspan="1">118.4 (13)</td></tr><tr><td rowspan="1" colspan="1">O3—W4—O7</td><td rowspan="1" colspan="1">88.7 (4)</td><td rowspan="1" colspan="1">C3—C4—C5</td><td rowspan="1" colspan="1">124.1 (14)</td></tr><tr><td rowspan="1" colspan="1">O4E—W4—O10<sup>i</sup></td><td rowspan="1" colspan="1">99.9 (5)</td><td rowspan="1" colspan="1">C6—C5—C4</td><td rowspan="1" colspan="1">121.0 (13)</td></tr><tr><td rowspan="1" colspan="1">O3—W4—O10<sup>i</sup></td><td rowspan="1" colspan="1">157.1 (5)</td><td rowspan="1" colspan="1">C6—C5—H5</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">O7—W4—O10<sup>i</sup></td><td rowspan="1" colspan="1">88.2 (4)</td><td rowspan="1" colspan="1">C4—C5—H5</td><td rowspan="1" colspan="1">119.5</td></tr><tr><td rowspan="1" colspan="1">O4E—W4—O8</td><td rowspan="1" colspan="1">101.9 (4)</td><td rowspan="1" colspan="1">C5—C6—C7</td><td rowspan="1" colspan="1">121.5 (15)</td></tr><tr><td rowspan="1" colspan="1">O3—W4—O8</td><td rowspan="1" colspan="1">87.0 (4)</td><td rowspan="1" colspan="1">C5—C6—H6</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O7—W4—O8</td><td rowspan="1" colspan="1">156.5 (4)</td><td rowspan="1" colspan="1">C7—C6—H6</td><td rowspan="1" colspan="1">119.3</td></tr><tr><td rowspan="1" colspan="1">O10<sup>i</sup>—W4—O8</td><td rowspan="1" colspan="1">86.8 (4)</td><td rowspan="1" colspan="1">C11—C7—C8</td><td rowspan="1" colspan="1">117.7 (13)</td></tr><tr><td rowspan="1" colspan="1">O4E—W4—O1C</td><td rowspan="1" colspan="1">157.0 (4)</td><td rowspan="1" colspan="1">C11—C7—C6</td><td rowspan="1" colspan="1">117.8 (14)</td></tr><tr><td rowspan="1" colspan="1">O3—W4—O1C</td><td rowspan="1" colspan="1">95.6 (4)</td><td rowspan="1" colspan="1">C8—C7—C6</td><td rowspan="1" colspan="1">124.5 (14)</td></tr><tr><td rowspan="1" colspan="1">O7—W4—O1C</td><td rowspan="1" colspan="1">65.0 (4)</td><td rowspan="1" colspan="1">C9—C8—C7</td><td rowspan="1" colspan="1">118.6 (13)</td></tr><tr><td rowspan="1" colspan="1">O10<sup>i</sup>—W4—O1C</td><td rowspan="1" colspan="1">62.7 (4)</td><td rowspan="1" colspan="1">C9—C8—H8</td><td rowspan="1" colspan="1">120.7</td></tr><tr><td rowspan="1" colspan="1">O8—W4—O1C</td><td rowspan="1" colspan="1">92.4 (4)</td><td rowspan="1" colspan="1">C7—C8—H8</td><td rowspan="1" colspan="1">120.7</td></tr><tr><td rowspan="1" colspan="1">O5E—W5—O6A<sup>i</sup></td><td rowspan="1" colspan="1">112.5 (6)</td><td rowspan="1" colspan="1">C10—C9—C8</td><td rowspan="1" colspan="1">120.3 (14)</td></tr><tr><td rowspan="1" colspan="1">O5E—W5—O12</td><td rowspan="1" colspan="1">100.4 (4)</td><td rowspan="1" colspan="1">C10—C9—H9</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O6A<sup>i</sup>—W5—O12</td><td rowspan="1" colspan="1">146.1 (6)</td><td rowspan="1" colspan="1">C8—C9—H9</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">O5E—W5—O7<sup>i</sup></td><td rowspan="1" colspan="1">100.6 (4)</td><td rowspan="1" colspan="1">N2—C10—C9</td><td rowspan="1" colspan="1">124.4 (14)</td></tr><tr><td rowspan="1" colspan="1">O6A<sup>i</sup>—W5—O7<sup>i</sup></td><td rowspan="1" colspan="1">79.6 (7)</td><td rowspan="1" colspan="1">N2—C10—H10</td><td rowspan="1" colspan="1">117.8</td></tr><tr><td rowspan="1" colspan="1">O12—W5—O7<sup>i</sup></td><td rowspan="1" colspan="1">86.8 (4)</td><td rowspan="1" colspan="1">C9—C10—H10</td><td rowspan="1" colspan="1">117.8</td></tr><tr><td rowspan="1" colspan="1">O5E—W5—O11A</td><td rowspan="1" colspan="1">94.4 (6)</td><td rowspan="1" colspan="1">N2—C11—C7</td><td rowspan="1" colspan="1">121.0 (11)</td></tr><tr><td rowspan="1" colspan="1">O6A<sup>i</sup>—W5—O11A</td><td rowspan="1" colspan="1">89.5 (8)</td><td rowspan="1" colspan="1">N2—C11—C12</td><td rowspan="1" colspan="1">119.3 (11)</td></tr><tr><td rowspan="1" colspan="1">O12—W5—O11A</td><td rowspan="1" colspan="1">96.1 (6)</td><td rowspan="1" colspan="1">C7—C11—C12</td><td rowspan="1" colspan="1">119.7 (12)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—W5—O11A</td><td rowspan="1" colspan="1">164.0 (7)</td><td rowspan="1" colspan="1">N1—C12—C4</td><td rowspan="1" colspan="1">122.8 (12)</td></tr><tr><td rowspan="1" colspan="1">O5E—W5—O1C<sup>i</sup></td><td rowspan="1" colspan="1">155.8 (4)</td><td rowspan="1" colspan="1">N1—C12—C11</td><td rowspan="1" colspan="1">115.7 (11)</td></tr><tr><td rowspan="1" colspan="1">O6A<sup>i</sup>—W5—O1C<sup>i</sup></td><td rowspan="1" colspan="1">84.0 (6)</td><td rowspan="1" colspan="1">C4—C12—C11</td><td rowspan="1" colspan="1">121.4 (13)</td></tr><tr><td rowspan="1" colspan="1">O12—W5—O1C<sup>i</sup></td><td rowspan="1" colspan="1">62.1 (4)</td><td rowspan="1" colspan="1">N3—C13—C14</td><td rowspan="1" colspan="1">122.7 (11)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>i</sup>—W5—O1C<sup>i</sup></td><td rowspan="1" colspan="1">63.8 (4)</td><td rowspan="1" colspan="1">N3—C13—H13</td><td rowspan="1" colspan="1">118.6</td></tr><tr><td rowspan="1" colspan="1">O11A—W5—O1C<sup>i</sup></td><td rowspan="1" colspan="1">103.7 (6)</td><td rowspan="1" colspan="1">C14—C13—H13</td><td rowspan="1" colspan="1">118.6</td></tr><tr><td rowspan="1" colspan="1">O6E—W6—O4</td><td rowspan="1" colspan="1">101.1 (5)</td><td rowspan="1" colspan="1">C15—C14—C13</td><td rowspan="1" colspan="1">119.1 (12)</td></tr><tr><td rowspan="1" colspan="1">O6E—W6—O8</td><td rowspan="1" colspan="1">100.9 (5)</td><td rowspan="1" colspan="1">C15—C14—H14</td><td rowspan="1" colspan="1">120.4</td></tr><tr><td rowspan="1" colspan="1">O4—W6—O8</td><td rowspan="1" colspan="1">87.8 (4)</td><td rowspan="1" colspan="1">C13—C14—H14</td><td rowspan="1" colspan="1">120.4</td></tr><tr><td rowspan="1" colspan="1">O6E—W6—O11A</td><td rowspan="1" colspan="1">93.7 (6)</td><td rowspan="1" colspan="1">C14—C15—C16</td><td rowspan="1" colspan="1">120.5 (12)</td></tr><tr><td rowspan="1" colspan="1">O4—W6—O11A</td><td rowspan="1" colspan="1">93.3 (6)</td><td rowspan="1" colspan="1">C14—C15—H15</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O8—W6—O11A</td><td rowspan="1" colspan="1">164.8 (6)</td><td rowspan="1" colspan="1">C16—C15—H15</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O6E—W6—O9A<sup>i</sup></td><td rowspan="1" colspan="1">94.2 (5)</td><td rowspan="1" colspan="1">C15—C16—C24</td><td rowspan="1" colspan="1">115.9 (11)</td></tr><tr><td rowspan="1" colspan="1">O4—W6—O9A<sup>i</sup></td><td rowspan="1" colspan="1">164.3 (5)</td><td rowspan="1" colspan="1">C15—C16—C17</td><td rowspan="1" colspan="1">125.1 (12)</td></tr><tr><td rowspan="1" colspan="1">O8—W6—O9A<sup>i</sup></td><td rowspan="1" colspan="1">92.6 (5)</td><td rowspan="1" colspan="1">C24—C16—C17</td><td rowspan="1" colspan="1">119.0 (11)</td></tr><tr><td rowspan="1" colspan="1">O11A—W6—O9A<sup>i</sup></td><td rowspan="1" colspan="1">82.3 (7)</td><td rowspan="1" colspan="1">C18—C17—C16</td><td rowspan="1" colspan="1">120.7 (12)</td></tr><tr><td rowspan="1" colspan="1">W2—O1—W1</td><td rowspan="1" colspan="1">139.3 (4)</td><td rowspan="1" colspan="1">C18—C17—H17</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">W3—O2—W1</td><td rowspan="1" colspan="1">138.9 (5)</td><td rowspan="1" colspan="1">C16—C17—H17</td><td rowspan="1" colspan="1">119.7</td></tr><tr><td rowspan="1" colspan="1">W4—O3—W1</td><td rowspan="1" colspan="1">139.2 (6)</td><td rowspan="1" colspan="1">C17—C18—C19</td><td rowspan="1" colspan="1">122.0 (13)</td></tr><tr><td rowspan="1" colspan="1">W1—O4—W6</td><td rowspan="1" colspan="1">139.7 (6)</td><td rowspan="1" colspan="1">C17—C18—H18</td><td rowspan="1" colspan="1">119.0</td></tr><tr><td rowspan="1" colspan="1">W3—O5—W2</td><td rowspan="1" colspan="1">138.3 (4)</td><td rowspan="1" colspan="1">C19—C18—H18</td><td rowspan="1" colspan="1">119.0</td></tr><tr><td rowspan="1" colspan="1">W5<sup>i</sup>—O6A—W2</td><td rowspan="1" colspan="1">149.7 (10)</td><td rowspan="1" colspan="1">C23—C19—C20</td><td rowspan="1" colspan="1">116.5 (13)</td></tr><tr><td rowspan="1" colspan="1">W4—O7—V5<sup>i</sup></td><td rowspan="1" colspan="1">138.9 (5)</td><td rowspan="1" colspan="1">C23—C19—C18</td><td rowspan="1" colspan="1">118.9 (12)</td></tr><tr><td rowspan="1" colspan="1">W4—O7—W5<sup>i</sup></td><td rowspan="1" colspan="1">138.9 (5)</td><td rowspan="1" colspan="1">C20—C19—C18</td><td rowspan="1" colspan="1">124.5 (13)</td></tr><tr><td rowspan="1" colspan="1">V5<sup>i</sup>—O7—W5<sup>i</sup></td><td rowspan="1" colspan="1">0.00 (3)</td><td rowspan="1" colspan="1">C21—C20—C19</td><td rowspan="1" colspan="1">119.0 (14)</td></tr><tr><td rowspan="1" colspan="1">W6—O8—W4</td><td rowspan="1" colspan="1">139.3 (5)</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">W2—O9A—W6<sup>i</sup></td><td rowspan="1" colspan="1">123.3 (7)</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">W3—O10—V4<sup>i</sup></td><td rowspan="1" colspan="1">138.7 (6)</td><td rowspan="1" colspan="1">C20—C21—C22</td><td rowspan="1" colspan="1">120.2 (14)</td></tr><tr><td rowspan="1" colspan="1">W3—O10—W4<sup>i</sup></td><td rowspan="1" colspan="1">138.7 (6)</td><td rowspan="1" colspan="1">C20—C21—H21</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">V4<sup>i</sup>—O10—W4<sup>i</sup></td><td rowspan="1" colspan="1">0.00 (3)</td><td rowspan="1" colspan="1">C22—C21—H21</td><td rowspan="1" colspan="1">119.9</td></tr><tr><td rowspan="1" colspan="1">W6—O11A—W5</td><td rowspan="1" colspan="1">125.4 (9)</td><td rowspan="1" colspan="1">N4—C22—C21</td><td rowspan="1" colspan="1">123.2 (14)</td></tr><tr><td rowspan="1" colspan="1">W3—O12—W5</td><td rowspan="1" colspan="1">139.9 (6)</td><td rowspan="1" colspan="1">N4—C22—H22</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">O4C—P—O4C<sup>i</sup></td><td rowspan="1" colspan="1">180.0 (8)</td><td rowspan="1" colspan="1">C21—C22—H22</td><td rowspan="1" colspan="1">118.4</td></tr><tr><td rowspan="1" colspan="1">O4C—P—O3C</td><td rowspan="1" colspan="1">67.4 (6)</td><td rowspan="1" colspan="1">N4—C23—C19</td><td rowspan="1" colspan="1">123.3 (11)</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—P—O3C</td><td rowspan="1" colspan="1">112.6 (6)</td><td rowspan="1" colspan="1">N4—C23—C24</td><td rowspan="1" colspan="1">116.6 (11)</td></tr><tr><td rowspan="1" colspan="1">O4C—P—O3C<sup>i</sup></td><td rowspan="1" colspan="1">112.6 (6)</td><td rowspan="1" colspan="1">C19—C23—C24</td><td rowspan="1" colspan="1">120.1 (11)</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—P—O3C<sup>i</sup></td><td rowspan="1" colspan="1">67.4 (6)</td><td rowspan="1" colspan="1">N3—C24—C16</td><td rowspan="1" colspan="1">123.8 (10)</td></tr><tr><td rowspan="1" colspan="1">O3C—P—O3C<sup>i</sup></td><td rowspan="1" colspan="1">180.000 (3)</td><td rowspan="1" colspan="1">N3—C24—C23</td><td rowspan="1" colspan="1">116.9 (10)</td></tr><tr><td rowspan="1" colspan="1">O4C—P—O1C<sup>i</sup></td><td rowspan="1" colspan="1">68.0 (6)</td><td rowspan="1" colspan="1">C16—C24—C23</td><td rowspan="1" colspan="1">119.3 (11)</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—P—O1C<sup>i</sup></td><td rowspan="1" colspan="1">112.0 (6)</td><td rowspan="1" colspan="1">N5—C25—C26</td><td rowspan="1" colspan="1">124.1 (12)</td></tr><tr><td rowspan="1" colspan="1">O3C—P—O1C<sup>i</sup></td><td rowspan="1" colspan="1">108.6 (6)</td><td rowspan="1" colspan="1">N5—C25—H25</td><td rowspan="1" colspan="1">117.9</td></tr><tr><td rowspan="1" colspan="1">O3C<sup>i</sup>—P—O1C<sup>i</sup></td><td rowspan="1" colspan="1">71.4 (6)</td><td rowspan="1" colspan="1">C26—C25—H25</td><td rowspan="1" colspan="1">117.9</td></tr><tr><td rowspan="1" colspan="1">O4C—P—O1C</td><td rowspan="1" colspan="1">112.0 (6)</td><td rowspan="1" colspan="1">C27—C26—C25</td><td rowspan="1" colspan="1">119.2 (11)</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—P—O1C</td><td rowspan="1" colspan="1">68.0 (6)</td><td rowspan="1" colspan="1">C27—C26—H26</td><td rowspan="1" colspan="1">120.4</td></tr><tr><td rowspan="1" colspan="1">O3C—P—O1C</td><td rowspan="1" colspan="1">71.4 (6)</td><td rowspan="1" colspan="1">C25—C26—H26</td><td rowspan="1" colspan="1">120.4</td></tr><tr><td rowspan="1" colspan="1">O3C<sup>i</sup>—P—O1C</td><td rowspan="1" colspan="1">108.6 (6)</td><td rowspan="1" colspan="1">C26—C27—C28</td><td rowspan="1" colspan="1">120.5 (11)</td></tr><tr><td rowspan="1" colspan="1">O1C<sup>i</sup>—P—O1C</td><td rowspan="1" colspan="1">180.0 (7)</td><td rowspan="1" colspan="1">C26—C27—H27</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O4C—P—O2C</td><td rowspan="1" colspan="1">69.2 (6)</td><td rowspan="1" colspan="1">C28—C27—H27</td><td rowspan="1" colspan="1">119.8</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—P—O2C</td><td rowspan="1" colspan="1">110.8 (6)</td><td rowspan="1" colspan="1">C27—C28—C36</td><td rowspan="1" colspan="1">116.3 (11)</td></tr><tr><td rowspan="1" colspan="1">O3C—P—O2C</td><td rowspan="1" colspan="1">107.1 (6)</td><td rowspan="1" colspan="1">C27—C28—C29</td><td rowspan="1" colspan="1">124.3 (11)</td></tr><tr><td rowspan="1" colspan="1">O3C<sup>i</sup>—P—O2C</td><td rowspan="1" colspan="1">72.9 (6)</td><td rowspan="1" colspan="1">C36—C28—C29</td><td rowspan="1" colspan="1">119.4 (10)</td></tr><tr><td rowspan="1" colspan="1">O1C<sup>i</sup>—P—O2C</td><td rowspan="1" colspan="1">105.5 (6)</td><td rowspan="1" colspan="1">C30—C29—C28</td><td rowspan="1" colspan="1">119.3 (11)</td></tr><tr><td rowspan="1" colspan="1">O1C—P—O2C</td><td rowspan="1" colspan="1">74.5 (6)</td><td rowspan="1" colspan="1">C30—C29—H29</td><td rowspan="1" colspan="1">120.4</td></tr><tr><td rowspan="1" colspan="1">O4C—P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">110.8 (6)</td><td rowspan="1" colspan="1">C28—C29—H29</td><td rowspan="1" colspan="1">120.4</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">69.2 (6)</td><td rowspan="1" colspan="1">C29—C30—C31</td><td rowspan="1" colspan="1">123.6 (11)</td></tr><tr><td rowspan="1" colspan="1">O3C—P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">72.9 (6)</td><td rowspan="1" colspan="1">C29—C30—H30</td><td rowspan="1" colspan="1">118.2</td></tr><tr><td rowspan="1" colspan="1">O3C<sup>i</sup>—P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">107.1 (6)</td><td rowspan="1" colspan="1">C31—C30—H30</td><td rowspan="1" colspan="1">118.2</td></tr><tr><td rowspan="1" colspan="1">O1C<sup>i</sup>—P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">74.5 (6)</td><td rowspan="1" colspan="1">C32—C31—C35</td><td rowspan="1" colspan="1">116.5 (11)</td></tr><tr><td rowspan="1" colspan="1">O1C—P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">105.5 (6)</td><td rowspan="1" colspan="1">C32—C31—C30</td><td rowspan="1" colspan="1">126.1 (11)</td></tr><tr><td rowspan="1" colspan="1">O2C—P—O2C<sup>i</sup></td><td rowspan="1" colspan="1">180.0 (7)</td><td rowspan="1" colspan="1">C35—C31—C30</td><td rowspan="1" colspan="1">117.4 (11)</td></tr><tr><td rowspan="1" colspan="1">P—O1C—O4C<sup>i</sup></td><td rowspan="1" colspan="1">54.0 (6)</td><td rowspan="1" colspan="1">C33—C32—C31</td><td rowspan="1" colspan="1">120.8 (11)</td></tr><tr><td rowspan="1" colspan="1">P—O1C—W3<sup>i</sup></td><td rowspan="1" colspan="1">126.0 (6)</td><td rowspan="1" colspan="1">C33—C32—H32</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—O1C—W3<sup>i</sup></td><td rowspan="1" colspan="1">72.0 (6)</td><td rowspan="1" colspan="1">C31—C32—H32</td><td rowspan="1" colspan="1">119.6</td></tr><tr><td rowspan="1" colspan="1">P—O1C—W4</td><td rowspan="1" colspan="1">122.9 (7)</td><td rowspan="1" colspan="1">C32—C33—C34</td><td rowspan="1" colspan="1">119.5 (11)</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—O1C—W4</td><td rowspan="1" colspan="1">135.7 (7)</td><td rowspan="1" colspan="1">C32—C33—H33</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">W3<sup>i</sup>—O1C—W4</td><td rowspan="1" colspan="1">94.1 (4)</td><td rowspan="1" colspan="1">C34—C33—H33</td><td rowspan="1" colspan="1">120.2</td></tr><tr><td rowspan="1" colspan="1">P—O1C—W5<sup>i</sup></td><td rowspan="1" colspan="1">120.0 (6)</td><td rowspan="1" colspan="1">N6—C34—C33</td><td rowspan="1" colspan="1">121.5 (11)</td></tr><tr><td rowspan="1" colspan="1">O4C<sup>i</sup>—O1C—W5<sup>i</sup></td><td rowspan="1" colspan="1">129.8 (7)</td><td rowspan="1" colspan="1">N6—C34—H34</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">W3<sup>i</sup>—O1C—W5<sup>i</sup></td><td rowspan="1" colspan="1">93.4 (4)</td><td rowspan="1" colspan="1">C33—C34—H34</td><td rowspan="1" colspan="1">119.2</td></tr><tr><td rowspan="1" colspan="1">W4—O1C—W5<sup>i</sup></td><td rowspan="1" colspan="1">91.9 (4)</td><td rowspan="1" colspan="1">N6—C35—C31</td><td rowspan="1" colspan="1">122.5 (9)</td></tr><tr><td rowspan="1" colspan="1">P—O4C—O1C<sup>i</sup></td><td rowspan="1" colspan="1">58.0 (5)</td><td rowspan="1" colspan="1">N6—C35—C36</td><td rowspan="1" colspan="1">117.2 (9)</td></tr><tr><td rowspan="1" colspan="1">P—O4C—W3</td><td rowspan="1" colspan="1">125.2 (6)</td><td rowspan="1" colspan="1">C31—C35—C36</td><td rowspan="1" colspan="1">120.3 (9)</td></tr><tr><td rowspan="1" colspan="1">O1C<sup>i</sup>—O4C—W3</td><td rowspan="1" colspan="1">67.2 (5)</td><td rowspan="1" colspan="1">N5—C36—C28</td><td rowspan="1" colspan="1">122.7 (9)</td></tr><tr><td rowspan="1" colspan="1">P—O4C—W1</td><td rowspan="1" colspan="1">125.4 (6)</td><td rowspan="1" colspan="1">N5—C36—C35</td><td rowspan="1" colspan="1">117.3 (9)</td></tr><tr><td rowspan="1" colspan="1">O1C<sup>i</sup>—O4C—W1</td><td rowspan="1" colspan="1">132.1 (7)</td><td rowspan="1" colspan="1">C28—C36—C35</td><td rowspan="1" colspan="1">119.9 (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">N3—Co—N1—C1</td><td rowspan="1" colspan="1">83.6 (10)</td><td rowspan="1" colspan="1">Co—N1—C12—C4</td><td rowspan="1" colspan="1">−173.8 (9)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N1—C1</td><td rowspan="1" colspan="1">−94.0 (10)</td><td rowspan="1" colspan="1">C1—N1—C12—C11</td><td rowspan="1" colspan="1">179.9 (10)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N1—C1</td><td rowspan="1" colspan="1">3.3 (10)</td><td rowspan="1" colspan="1">Co—N1—C12—C11</td><td rowspan="1" colspan="1">4.1 (12)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N1—C1</td><td rowspan="1" colspan="1">−179.7 (10)</td><td rowspan="1" colspan="1">C3—C4—C12—N1</td><td rowspan="1" colspan="1">−1.5 (18)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N1—C1</td><td rowspan="1" colspan="1">−138 (2)</td><td rowspan="1" colspan="1">C5—C4—C12—N1</td><td rowspan="1" colspan="1">−178.5 (11)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N1—C12</td><td rowspan="1" colspan="1">−101.2 (7)</td><td rowspan="1" colspan="1">C3—C4—C12—C11</td><td rowspan="1" colspan="1">−179.3 (11)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N1—C12</td><td rowspan="1" colspan="1">81.2 (7)</td><td rowspan="1" colspan="1">C5—C4—C12—C11</td><td rowspan="1" colspan="1">3.8 (17)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N1—C12</td><td rowspan="1" colspan="1">178.5 (7)</td><td rowspan="1" colspan="1">N2—C11—C12—N1</td><td rowspan="1" colspan="1">−0.5 (15)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N1—C12</td><td rowspan="1" colspan="1">−4.5 (7)</td><td rowspan="1" colspan="1">C7—C11—C12—N1</td><td rowspan="1" colspan="1">−177.9 (10)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N1—C12</td><td rowspan="1" colspan="1">37 (3)</td><td rowspan="1" colspan="1">N2—C11—C12—C4</td><td rowspan="1" colspan="1">177.4 (10)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N2—C10</td><td rowspan="1" colspan="1">−89.4 (10)</td><td rowspan="1" colspan="1">C7—C11—C12—C4</td><td rowspan="1" colspan="1">0.0 (16)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N2—C10</td><td rowspan="1" colspan="1">81.8 (10)</td><td rowspan="1" colspan="1">C24—N3—C13—C14</td><td rowspan="1" colspan="1">−1.0 (16)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N2—C10</td><td rowspan="1" colspan="1">176.3 (10)</td><td rowspan="1" colspan="1">Co—N3—C13—C14</td><td rowspan="1" colspan="1">172.4 (9)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N2—C10</td><td rowspan="1" colspan="1">−155 (3)</td><td rowspan="1" colspan="1">N3—C13—C14—C15</td><td rowspan="1" colspan="1">2.1 (18)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N2—C10</td><td rowspan="1" colspan="1">1.9 (10)</td><td rowspan="1" colspan="1">C13—C14—C15—C16</td><td rowspan="1" colspan="1">−1.4 (18)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N2—C11</td><td rowspan="1" colspan="1">98.4 (7)</td><td rowspan="1" colspan="1">C14—C15—C16—C24</td><td rowspan="1" colspan="1">−0.2 (16)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N2—C11</td><td rowspan="1" colspan="1">−90.4 (7)</td><td rowspan="1" colspan="1">C14—C15—C16—C17</td><td rowspan="1" colspan="1">−178.5 (11)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N2—C11</td><td rowspan="1" colspan="1">4.1 (7)</td><td rowspan="1" colspan="1">C15—C16—C17—C18</td><td rowspan="1" colspan="1">177.9 (11)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N2—C11</td><td rowspan="1" colspan="1">33 (4)</td><td rowspan="1" colspan="1">C24—C16—C17—C18</td><td rowspan="1" colspan="1">−0.3 (17)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N2—C11</td><td rowspan="1" colspan="1">−170.3 (7)</td><td rowspan="1" colspan="1">C16—C17—C18—C19</td><td rowspan="1" colspan="1">−0.1 (19)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N3—C13</td><td rowspan="1" colspan="1">−105 (2)</td><td rowspan="1" colspan="1">C17—C18—C19—C23</td><td rowspan="1" colspan="1">−0.3 (18)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N3—C13</td><td rowspan="1" colspan="1">88.7 (10)</td><td rowspan="1" colspan="1">C17—C18—C19—C20</td><td rowspan="1" colspan="1">−178.3 (12)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N3—C13</td><td rowspan="1" colspan="1">−178.2 (10)</td><td rowspan="1" colspan="1">C23—C19—C20—C21</td><td rowspan="1" colspan="1">3.5 (17)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N3—C13</td><td rowspan="1" colspan="1">7.5 (10)</td><td rowspan="1" colspan="1">C18—C19—C20—C21</td><td rowspan="1" colspan="1">−178.4 (12)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N3—C13</td><td rowspan="1" colspan="1">−85.8 (9)</td><td rowspan="1" colspan="1">C19—C20—C21—C22</td><td rowspan="1" colspan="1">−4.4 (19)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N3—C24</td><td rowspan="1" colspan="1">68 (2)</td><td rowspan="1" colspan="1">C23—N4—C22—C21</td><td rowspan="1" colspan="1">−1.6 (18)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N3—C24</td><td rowspan="1" colspan="1">−97.7 (7)</td><td rowspan="1" colspan="1">Co—N4—C22—C21</td><td rowspan="1" colspan="1">−176.6 (10)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N3—C24</td><td rowspan="1" colspan="1">−4.5 (7)</td><td rowspan="1" colspan="1">C20—C21—C22—N4</td><td rowspan="1" colspan="1">4 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N3—C24</td><td rowspan="1" colspan="1">−178.8 (7)</td><td rowspan="1" colspan="1">C22—N4—C23—C19</td><td rowspan="1" colspan="1">0.8 (16)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N3—C24</td><td rowspan="1" colspan="1">87.9 (7)</td><td rowspan="1" colspan="1">Co—N4—C23—C19</td><td rowspan="1" colspan="1">176.6 (8)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N4—C22</td><td rowspan="1" colspan="1">−180.0 (11)</td><td rowspan="1" colspan="1">C22—N4—C23—C24</td><td rowspan="1" colspan="1">179.7 (10)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N4—C22</td><td rowspan="1" colspan="1">9.2 (11)</td><td rowspan="1" colspan="1">Co—N4—C23—C24</td><td rowspan="1" colspan="1">−4.5 (12)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N4—C22</td><td rowspan="1" colspan="1">−85.2 (10)</td><td rowspan="1" colspan="1">C20—C19—C23—N4</td><td rowspan="1" colspan="1">−1.8 (16)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N4—C22</td><td rowspan="1" colspan="1">−113 (3)</td><td rowspan="1" colspan="1">C18—C19—C23—N4</td><td rowspan="1" colspan="1">−179.9 (10)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N4—C22</td><td rowspan="1" colspan="1">89.5 (10)</td><td rowspan="1" colspan="1">C20—C19—C23—C24</td><td rowspan="1" colspan="1">179.3 (10)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N4—C23</td><td rowspan="1" colspan="1">4.8 (7)</td><td rowspan="1" colspan="1">C18—C19—C23—C24</td><td rowspan="1" colspan="1">1.1 (16)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N4—C23</td><td rowspan="1" colspan="1">−166.0 (7)</td><td rowspan="1" colspan="1">C13—N3—C24—C16</td><td rowspan="1" colspan="1">−0.8 (15)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N4—C23</td><td rowspan="1" colspan="1">99.7 (8)</td><td rowspan="1" colspan="1">Co—N3—C24—C16</td><td rowspan="1" colspan="1">−175.2 (8)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N4—C23</td><td rowspan="1" colspan="1">71 (4)</td><td rowspan="1" colspan="1">C13—N3—C24—C23</td><td rowspan="1" colspan="1">177.9 (9)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N4—C23</td><td rowspan="1" colspan="1">−85.6 (8)</td><td rowspan="1" colspan="1">Co—N3—C24—C23</td><td rowspan="1" colspan="1">3.5 (11)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N5—C25</td><td rowspan="1" colspan="1">6.6 (10)</td><td rowspan="1" colspan="1">C15—C16—C24—N3</td><td rowspan="1" colspan="1">1.4 (16)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N5—C25</td><td rowspan="1" colspan="1">−176.6 (10)</td><td rowspan="1" colspan="1">C17—C16—C24—N3</td><td rowspan="1" colspan="1">179.8 (10)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N5—C25</td><td rowspan="1" colspan="1">−132 (2)</td><td rowspan="1" colspan="1">C15—C16—C24—C23</td><td rowspan="1" colspan="1">−177.3 (10)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N5—C25</td><td rowspan="1" colspan="1">86.7 (10)</td><td rowspan="1" colspan="1">C17—C16—C24—C23</td><td rowspan="1" colspan="1">1.1 (15)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N5—C25</td><td rowspan="1" colspan="1">−90.9 (10)</td><td rowspan="1" colspan="1">N4—C23—C24—N3</td><td rowspan="1" colspan="1">0.7 (14)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N5—C36</td><td rowspan="1" colspan="1">−179.0 (7)</td><td rowspan="1" colspan="1">C19—C23—C24—N3</td><td rowspan="1" colspan="1">179.7 (9)</td></tr><tr><td rowspan="1" colspan="1">N6—Co—N5—C36</td><td rowspan="1" colspan="1">−2.3 (7)</td><td rowspan="1" colspan="1">N4—C23—C24—C16</td><td rowspan="1" colspan="1">179.5 (9)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N5—C36</td><td rowspan="1" colspan="1">42 (3)</td><td rowspan="1" colspan="1">C19—C23—C24—C16</td><td rowspan="1" colspan="1">−1.5 (15)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N5—C36</td><td rowspan="1" colspan="1">−98.9 (7)</td><td rowspan="1" colspan="1">C36—N5—C25—C26</td><td rowspan="1" colspan="1">0.2 (17)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N5—C36</td><td rowspan="1" colspan="1">83.5 (7)</td><td rowspan="1" colspan="1">Co—N5—C25—C26</td><td rowspan="1" colspan="1">174.4 (9)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N6—C34</td><td rowspan="1" colspan="1">−162.2 (18)</td><td rowspan="1" colspan="1">N5—C25—C26—C27</td><td rowspan="1" colspan="1">1 (2)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N6—C34</td><td rowspan="1" colspan="1">3.7 (10)</td><td rowspan="1" colspan="1">C25—C26—C27—C28</td><td rowspan="1" colspan="1">−1.6 (19)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N6—C34</td><td rowspan="1" colspan="1">−90.8 (9)</td><td rowspan="1" colspan="1">C26—C27—C28—C36</td><td rowspan="1" colspan="1">0.9 (17)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N6—C34</td><td rowspan="1" colspan="1">84.0 (10)</td><td rowspan="1" colspan="1">C26—C27—C28—C29</td><td rowspan="1" colspan="1">−176.9 (13)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N6—C34</td><td rowspan="1" colspan="1">177.8 (10)</td><td rowspan="1" colspan="1">C27—C28—C29—C30</td><td rowspan="1" colspan="1">177.4 (13)</td></tr><tr><td rowspan="1" colspan="1">N3—Co—N6—C35</td><td rowspan="1" colspan="1">23 (2)</td><td rowspan="1" colspan="1">C36—C28—C29—C30</td><td rowspan="1" colspan="1">−0.4 (19)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N6—C35</td><td rowspan="1" colspan="1">−171.4 (7)</td><td rowspan="1" colspan="1">C28—C29—C30—C31</td><td rowspan="1" colspan="1">0 (2)</td></tr><tr><td rowspan="1" colspan="1">N4—Co—N6—C35</td><td rowspan="1" colspan="1">94.0 (7)</td><td rowspan="1" colspan="1">C29—C30—C31—C32</td><td rowspan="1" colspan="1">−179.1 (15)</td></tr><tr><td rowspan="1" colspan="1">N2—Co—N6—C35</td><td rowspan="1" colspan="1">−91.2 (7)</td><td rowspan="1" colspan="1">C29—C30—C31—C35</td><td rowspan="1" colspan="1">0 (2)</td></tr><tr><td rowspan="1" colspan="1">N5—Co—N6—C35</td><td rowspan="1" colspan="1">2.7 (7)</td><td rowspan="1" colspan="1">C35—C31—C32—C33</td><td rowspan="1" colspan="1">0 (2)</td></tr><tr><td rowspan="1" colspan="1">C12—N1—C1—C2</td><td rowspan="1" colspan="1">−1.2 (17)</td><td rowspan="1" colspan="1">C30—C31—C32—C33</td><td rowspan="1" colspan="1">179.1 (14)</td></tr><tr><td rowspan="1" colspan="1">Co—N1—C1—C2</td><td rowspan="1" colspan="1">173.8 (9)</td><td rowspan="1" colspan="1">C31—C32—C33—C34</td><td rowspan="1" colspan="1">−1 (2)</td></tr><tr><td rowspan="1" colspan="1">N1—C1—C2—C3</td><td rowspan="1" colspan="1">0 (2)</td><td rowspan="1" colspan="1">C35—N6—C34—C33</td><td rowspan="1" colspan="1">−2.3 (17)</td></tr><tr><td rowspan="1" colspan="1">C1—C2—C3—C4</td><td rowspan="1" colspan="1">0 (2)</td><td rowspan="1" colspan="1">Co—N6—C34—C33</td><td rowspan="1" colspan="1">−177.2 (9)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C12</td><td rowspan="1" colspan="1">0 (2)</td><td rowspan="1" colspan="1">C32—C33—C34—N6</td><td rowspan="1" colspan="1">2 (2)</td></tr><tr><td rowspan="1" colspan="1">C2—C3—C4—C5</td><td rowspan="1" colspan="1">177.0 (14)</td><td rowspan="1" colspan="1">C34—N6—C35—C31</td><td rowspan="1" colspan="1">0.8 (16)</td></tr><tr><td rowspan="1" colspan="1">C12—C4—C5—C6</td><td rowspan="1" colspan="1">−5.0 (19)</td><td rowspan="1" colspan="1">Co—N6—C35—C31</td><td rowspan="1" colspan="1">176.4 (9)</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5—C6</td><td rowspan="1" colspan="1">178.3 (13)</td><td rowspan="1" colspan="1">C34—N6—C35—C36</td><td rowspan="1" colspan="1">−178.3 (9)</td></tr><tr><td rowspan="1" colspan="1">C4—C5—C6—C7</td><td rowspan="1" colspan="1">2 (2)</td><td rowspan="1" colspan="1">Co—N6—C35—C36</td><td rowspan="1" colspan="1">−2.7 (11)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—C11</td><td rowspan="1" colspan="1">1.5 (18)</td><td rowspan="1" colspan="1">C32—C31—C35—N6</td><td rowspan="1" colspan="1">0.5 (17)</td></tr><tr><td rowspan="1" colspan="1">C5—C6—C7—C8</td><td rowspan="1" colspan="1">−179.5 (13)</td><td rowspan="1" colspan="1">C30—C31—C35—N6</td><td rowspan="1" colspan="1">−178.9 (11)</td></tr><tr><td rowspan="1" colspan="1">C11—C7—C8—C9</td><td rowspan="1" colspan="1">−2.1 (18)</td><td rowspan="1" colspan="1">C32—C31—C35—C36</td><td rowspan="1" colspan="1">179.6 (11)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C8—C9</td><td rowspan="1" colspan="1">178.9 (12)</td><td rowspan="1" colspan="1">C30—C31—C35—C36</td><td rowspan="1" colspan="1">0.1 (17)</td></tr><tr><td rowspan="1" colspan="1">C7—C8—C9—C10</td><td rowspan="1" colspan="1">2 (2)</td><td rowspan="1" colspan="1">C25—N5—C36—C28</td><td rowspan="1" colspan="1">−1.0 (15)</td></tr><tr><td rowspan="1" colspan="1">C11—N2—C10—C9</td><td rowspan="1" colspan="1">−1.5 (18)</td><td rowspan="1" colspan="1">Co—N5—C36—C28</td><td rowspan="1" colspan="1">−176.1 (8)</td></tr><tr><td rowspan="1" colspan="1">Co—N2—C10—C9</td><td rowspan="1" colspan="1">−173.2 (10)</td><td rowspan="1" colspan="1">C25—N5—C36—C35</td><td rowspan="1" colspan="1">176.7 (10)</td></tr><tr><td rowspan="1" colspan="1">C8—C9—C10—N2</td><td rowspan="1" colspan="1">0 (2)</td><td rowspan="1" colspan="1">Co—N5—C36—C35</td><td rowspan="1" colspan="1">1.5 (11)</td></tr><tr><td rowspan="1" colspan="1">C10—N2—C11—C7</td><td rowspan="1" colspan="1">0.8 (15)</td><td rowspan="1" colspan="1">C27—C28—C36—N5</td><td rowspan="1" colspan="1">0.4 (15)</td></tr><tr><td rowspan="1" colspan="1">Co—N2—C11—C7</td><td rowspan="1" colspan="1">174.1 (8)</td><td rowspan="1" colspan="1">C29—C28—C36—N5</td><td rowspan="1" colspan="1">178.4 (10)</td></tr><tr><td rowspan="1" colspan="1">C10—N2—C11—C12</td><td rowspan="1" colspan="1">−176.5 (10)</td><td rowspan="1" colspan="1">C27—C28—C36—C35</td><td rowspan="1" colspan="1">−177.2 (10)</td></tr><tr><td rowspan="1" colspan="1">Co—N2—C11—C12</td><td rowspan="1" colspan="1">−3.3 (12)</td><td rowspan="1" colspan="1">C29—C28—C36—C35</td><td rowspan="1" colspan="1">0.7 (15)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C11—N2</td><td rowspan="1" colspan="1">0.9 (16)</td><td rowspan="1" colspan="1">N6—C35—C36—N5</td><td rowspan="1" colspan="1">0.8 (13)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C11—N2</td><td rowspan="1" colspan="1">180.0 (10)</td><td rowspan="1" colspan="1">C31—C35—C36—N5</td><td rowspan="1" colspan="1">−178.4 (10)</td></tr><tr><td rowspan="1" colspan="1">C8—C7—C11—C12</td><td rowspan="1" colspan="1">178.3 (10)</td><td rowspan="1" colspan="1">N6—C35—C36—C28</td><td rowspan="1" colspan="1">178.5 (9)</td></tr><tr><td rowspan="1" colspan="1">C6—C7—C11—C12</td><td rowspan="1" colspan="1">−2.7 (16)</td><td rowspan="1" colspan="1">C31—C35—C36—C28</td><td rowspan="1" colspan="1">−0.6 (15)</td></tr><tr><td rowspan="1" colspan="1">C1—N1—C12—C4</td><td rowspan="1" colspan="1">2.0 (16)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap><p>Symmetry code: (i) −<italic>x</italic>+3/2, −<italic>y</italic>+1/2, −<italic>z</italic>+1.</p></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, º)</title><p>Cg1 and Cg2 are the centroids of the N1/C1–C4/C12 and N3/C13–C16/C24 rings,
respectively.</p><table-wrap position="anchor" id="d1e7103"><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">O1<italic>W</italic>—H1<italic>W</italic>1···O1<italic>E</italic></td><td rowspan="1" colspan="1">0.85 (1)</td><td rowspan="1" colspan="1">2.17 (11)</td><td rowspan="1" colspan="1">2.928 (14)</td><td rowspan="1" colspan="1">149 (20)</td></tr><tr><td rowspan="1" colspan="1">O1<italic>W</italic>—H2<italic>W</italic>1···O3<italic>E</italic><sup>ii</sup></td><td rowspan="1" colspan="1">0.85 (1)</td><td rowspan="1" colspan="1">1.99 (3)</td><td rowspan="1" colspan="1">2.836 (13)</td><td rowspan="1" colspan="1">173 (17)</td></tr><tr><td rowspan="1" colspan="1">C9—H9···O5<italic>E</italic><sup>iii</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.55</td><td rowspan="1" colspan="1">3.208 (15)</td><td rowspan="1" colspan="1">128</td></tr><tr><td rowspan="1" colspan="1">C26—H26···O12<sup>iv</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.46</td><td rowspan="1" colspan="1">2.973 (15)</td><td rowspan="1" colspan="1">114</td></tr><tr><td rowspan="1" colspan="1">C33—H33···O5<sup>i</sup></td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.53</td><td rowspan="1" colspan="1">3.345 (13)</td><td rowspan="1" colspan="1">147</td></tr><tr><td rowspan="1" colspan="1">C34—H34···O8</td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.43</td><td rowspan="1" colspan="1">3.114 (13)</td><td rowspan="1" colspan="1">130</td></tr><tr><td rowspan="1" colspan="1">C34—H34···<italic>Cg</italic>1</td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">3.04</td><td rowspan="1" colspan="1">3.811 (12)</td><td rowspan="1" colspan="1">142</td></tr><tr><td rowspan="1" colspan="1">C25—H25···<italic>Cg</italic>2</td><td rowspan="1" colspan="1">0.93</td><td rowspan="1" colspan="1">2.99</td><td rowspan="1" colspan="1">3.777 (13)</td><td rowspan="1" colspan="1">143</td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>+3/2, −<italic>y</italic>+1/2, −<italic>z</italic>+1; (ii) −<italic>x</italic>+2, −<italic>y</italic>, −<italic>z</italic>+1; (iii) <italic>x</italic>, −<italic>y</italic>, <italic>z</italic>−1/2; (iv) −<italic>x</italic>+3/2, <italic>y</italic>+1/2, −<italic>z</italic>+1/2.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Blessing, R. H. (1995). <italic>Acta Cryst.</italic> A<bold>51</bold>, 33–38.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Brandenburg, K. & Putz, H. (2005). <italic>DIAMOND</italic> Crystal Impact GbR, Bonn, Germany.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Brown, I. D. & Altermatt, D. (1985). <italic>Acta Cryst.</italic> B<bold>41</bold>, 244–247.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Deltcheff, C. R., Fournier, M., Franck, R. & Thouvenot, R. (1983). <italic>Inorg. Chem.</italic><bold>22</bold>, 207–216.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Duisenberg, A. J. M., Hooft, R. W. W., Schreurs, A. M. M. & Kroon, J. (2000). <italic>J. Appl. Cryst.</italic><bold>33</bold>, 893–898.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A. M. M. (2003). <italic>J. Appl. Cryst.</italic><bold>36</bold>, 220–229.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Farrugia, L. J. (2012). <italic>J. Appl. Cryst.</italic><bold>45</bold>, 849–854.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Glinskaya, L. A., Yurchenko, É. N., Klevtsova, R. F., Derkach, L. V., Rios, A. M. & Lazarenko, T. P. (1989). <italic>J. Struct. Chem.</italic><bold>30</bold>, 427–432.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Hooft, R. W. W. (1998). <italic>COLLECT</italic> Nonius BV, Delft, The Netherlands.</mixed-citation></ref><ref id="bb10"><mixed-citation publication-type="other">Klevtsova, R. F., Glinskaya, L. A., Yurchenko, E. N., Derkach, L. V., Rios, A. M. & Lazarenko, T. P. (1990). <italic>J. Struc. Chem.</italic><bold>31</bold>, 285–291.</mixed-citation></ref><ref id="bb11"><mixed-citation publication-type="other">Klevtsova, R. F., Glinskaya, L. A., Yurchenko, É. N. & Gutsul, T. D. (1991). <italic>J. Struct. Chem</italic><bold>32</bold>, 687–692.</mixed-citation></ref><ref id="bb12"><mixed-citation publication-type="other">Lee, K. Y. & Misono, M. (1997). <italic>Heteropoly compounds</italic>, in <italic>Handbook of Heterogeneous Catalysis</italic>, edited by G. Ertl, H. Knozinger & J. Weitkamp, pp. 118–131. Berlin: VCH.</mixed-citation></ref><ref id="bb13"><mixed-citation publication-type="other">Li, C., Cao, R., O’Halloran, K. P., Ma, H. & Wu, L. (2008). <italic>Electrochim. Acta</italic>, <bold>5</bold>4, 484–489.</mixed-citation></ref><ref id="bb14"><mixed-citation publication-type="other">Pope, M. T. & Müller, A. (1991). <italic>Angew. Chem. Int. Ed.</italic><bold>30</bold>, 34–38.</mixed-citation></ref><ref id="bb15"><mixed-citation publication-type="other">Pope, M. T. & Müller, A. (1994). In <italic>Polyoxometalates: from platonic solids to anti-retroviral activity</italic> Dordrecht: Kluwer Academic Publishers.</mixed-citation></ref><ref id="bb16"><mixed-citation publication-type="other">Radkov, E. & Beer, R. H. (1995). <italic>Polyhedron</italic>, <bold>14</bold>, 2139–2143.</mixed-citation></ref><ref id="bb17"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref><ref id="bb18"><mixed-citation publication-type="other">Watras, M. J. & Teplyakov, A. V. (2005). <italic>J. Phys. Chem. B</italic>, <bold>109</bold>, 8928–8934.</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">Co—N3</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.053 (9)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N6</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.060 (8)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.066 (10)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N4</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.066 (11)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.078 (10)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N5</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.085 (8)</td></tr></tbody></table></table-wrap><table-wrap id="table2" position="float"><label>Table 2</label><caption><title>Hydrogen-bond geometry (Å, °)</title><p><italic>Cg</italic>1 and <italic>Cg</italic>2 are the centroids of the N1/C1–C4/C12 and N3/C13–C16/C24 rings, respectively.</p></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">O1<italic>W</italic>—H1<italic>W</italic>1⋯O1<italic>E</italic></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.85 (1)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.17 (11)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.928 (14)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">149 (20)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O1<italic>W</italic>—H2<italic>W</italic>1⋯O3<italic>E</italic><sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.85 (1)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.99 (3)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.836 (13)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">173 (17)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C9—H9⋯O5<italic>E</italic><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">2.55</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.208 (15)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">128</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C26—H26⋯O12<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">2.46</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.973 (15)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">114</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C33—H33⋯O5<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">2.53</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.345 (13)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">147</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C34—H34⋯O8</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.43</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.114 (13)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">130</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C34—H34⋯<italic>Cg</italic>1</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.04</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.811 (12)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">142</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C25—H25⋯<italic>Cg</italic>2</td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.99</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.777 (13)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">143</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-70-0m125-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-70-0m125-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-70-0m125-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iv) <inline-formula><inline-graphic xlink:href="e-70-0m125-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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