CobaltMaghrebV1, Pmc, Corpus, bibRecord, 000349

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc

Identifieur interne : 000349 ( Pmc/Corpus ); précédent : 000348; suivant : 000350

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc

Auteurs : Soumaya Nasri ; Khaireddine Ezzayani ; Ilona Turowska-Tyrk ; Thierry Roisnel ; Habib Nasri

Source :

Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2016.

RBID : PMC:4992910

Abstract

The molecular structure of the piperazine[5,10,15,20-(tetraphenylbenzoate)porphyrinato-κ⁴N]zinc(II) complex is composed of parallel pairs of layers with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992910

DOI: 10.1107/S2056989016009269
PubMed: 27555935
PubMed Central: 4992910

Links to Exploration step

PMC:4992910

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal structure of an unknown solvate of (piperazine-κ<italic>N</italic>
){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ<sup>4</sup>
<italic>N</italic>
}zinc</title>
<author><name sortKey="Nasri, Soumaya" sort="Nasri, Soumaya" uniqKey="Nasri S" first="Soumaya" last="Nasri">Soumaya Nasri</name>
<affiliation><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Ezzayani, Khaireddine" sort="Ezzayani, Khaireddine" uniqKey="Ezzayani K" first="Khaireddine" last="Ezzayani">Khaireddine Ezzayani</name>
<affiliation><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Turowska Tyrk, Ilona" sort="Turowska Tyrk, Ilona" uniqKey="Turowska Tyrk I" first="Ilona" last="Turowska-Tyrk">Ilona Turowska-Tyrk</name>
<affiliation><nlm:aff id="b">Faculty of Chemistry, Wroław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wroław,<country>Poland</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Roisnel, Thierry" sort="Roisnel, Thierry" uniqKey="Roisnel T" first="Thierry" last="Roisnel">Thierry Roisnel</name>
<affiliation><nlm:aff id="c">Centre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–Université de, Rennes, 1, Campus de Beaulieu, 35042 Rennes Cedex,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Nasri, Habib" sort="Nasri, Habib" uniqKey="Nasri H" first="Habib" last="Nasri">Habib Nasri</name>
<affiliation><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
</affiliation>
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Crystal structure of an unknown solvate of (piperazine-κ<italic>N</italic>
){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ<sup>4</sup>
<italic>N</italic>
}zinc</title>
<author><name sortKey="Nasri, Soumaya" sort="Nasri, Soumaya" uniqKey="Nasri S" first="Soumaya" last="Nasri">Soumaya Nasri</name>
<affiliation><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Ezzayani, Khaireddine" sort="Ezzayani, Khaireddine" uniqKey="Ezzayani K" first="Khaireddine" last="Ezzayani">Khaireddine Ezzayani</name>
<affiliation><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Turowska Tyrk, Ilona" sort="Turowska Tyrk, Ilona" uniqKey="Turowska Tyrk I" first="Ilona" last="Turowska-Tyrk">Ilona Turowska-Tyrk</name>
<affiliation><nlm:aff id="b">Faculty of Chemistry, Wroław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wroław,<country>Poland</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Roisnel, Thierry" sort="Roisnel, Thierry" uniqKey="Roisnel T" first="Thierry" last="Roisnel">Thierry Roisnel</name>
<affiliation><nlm:aff id="c">Centre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–Université de, Rennes, 1, Campus de Beaulieu, 35042 Rennes Cedex,<country>France</country>
</nlm:aff>
</affiliation>
</author>
<author><name sortKey="Nasri, Habib" sort="Nasri, Habib" uniqKey="Nasri H" first="Habib" last="Nasri">Habib Nasri</name>
<affiliation><nlm:aff id="a">Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</nlm:aff>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta Crystallographica Section E: Crystallographic Communications</title>
<idno type="eISSN">2056-9890</idno>
<imprint><date when="2016">2016</date>
</imprint>
</series>
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<front><div type="abstract" xml:lang="en"><p>The molecular structure of the piperazine[5,10,15,20-(tetraphenylbenzoate)porphyrinato-κ<sup>4</sup>
<italic>N</italic>
]zinc(II) complex is composed of parallel pairs of layers with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å.</p>
</div>
</front>
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<pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
  <front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr E Crystallogr Commun</journal-id>
<journal-id journal-id-type="iso-abbrev">Acta Crystallogr E Crystallogr Commun</journal-id>
<journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id>
<journal-title-group><journal-title>Acta Crystallographica Section E: Crystallographic Communications</journal-title>
</journal-title-group>
<issn pub-type="epub">2056-9890</issn>
<publisher><publisher-name>International Union of Crystallography</publisher-name>
</publisher>
</journal-meta>
<article-meta><article-id pub-id-type="pmid">27555935</article-id>
<article-id pub-id-type="pmc">4992910</article-id>
<article-id pub-id-type="publisher-id">lh5815</article-id>
<article-id pub-id-type="doi">10.1107/S2056989016009269</article-id>
<article-id pub-id-type="coden">ACSECI</article-id>
<article-id pub-id-type="pii">S2056989016009269</article-id>
<article-categories><subj-group subj-group-type="heading"><subject>Research Communications</subject>
</subj-group>
</article-categories>
<title-group><article-title>Crystal structure of an unknown solvate of (piperazine-κ<italic>N</italic>
){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ<sup>4</sup>
<italic>N</italic>
}zinc</article-title>
<alt-title><italic>[Zn(C<sub>72</sub>
H<sub>44</sub>
N<sub>4</sub>
O<sub>8</sub>
)(C<sub>4</sub>
H<sub>10</sub>
N<sub>2</sub>
)]</italic>
</alt-title>
</title-group>
<contrib-group><contrib contrib-type="author"><name><surname>Nasri</surname>
<given-names>Soumaya</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
<xref ref-type="corresp" rid="cor">*</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Ezzayani</surname>
<given-names>Khaireddine</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Turowska-Tyrk</surname>
<given-names>Ilona</given-names>
</name>
<xref ref-type="aff" rid="b">b</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Roisnel</surname>
<given-names>Thierry</given-names>
</name>
<xref ref-type="aff" rid="c">c</xref>
</contrib>
<contrib contrib-type="author"><name><surname>Nasri</surname>
<given-names>Habib</given-names>
</name>
<xref ref-type="aff" rid="a">a</xref>
</contrib>
<aff id="a"><label>a</label>
Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l’environnement, 5019 Monastir, University of Monastir,<country>Tunisia</country>
</aff>
<aff id="b"><label>b</label>
Faculty of Chemistry, Wroław University of Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wroław,<country>Poland</country>
</aff>
<aff id="c"><label>c</label>
Centre de Diffractométrie X, Institut des Sciences Chimiques de Rennes, UMR 6226, CNRS–Université de, Rennes, 1, Campus de Beaulieu, 35042 Rennes Cedex,<country>France</country>
</aff>
</contrib-group>
<author-notes><corresp id="cor">Correspondence e-mail: <email>nn.soumaya@gmail.com</email>
</corresp>
</author-notes>
<pub-date pub-type="collection"><day>01</day>
<month>7</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="epub"><day>14</day>
<month>6</month>
<year>2016</year>
</pub-date>
<pub-date pub-type="pmc-release"><day>14</day>
<month>6</month>
<year>2016</year>
</pub-date>
<pmc-comment> PMC Release delay is 0 months and 0 days and was based on the . </pmc-comment>
      <volume>72</volume>
<issue>Pt 7</issue>
<issue-id pub-id-type="publisher-id">e160700</issue-id>
<fpage>937</fpage>
<lpage>942</lpage>
<history><date date-type="received"><day>26</day>
<month>5</month>
<year>2016</year>
</date>
<date date-type="accepted"><day>07</day>
<month>6</month>
<year>2016</year>
</date>
</history>
<permissions><copyright-statement>© Nasri et al. 2016</copyright-statement>
<copyright-year>2016</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/S2056989016009269">A full version of this
article is available from Crystallography Journals Online.</self-uri>
<abstract abstract-type="toc"><p>The molecular structure of the piperazine[5,10,15,20-(tetraphenylbenzoate)porphyrinato-κ<sup>4</sup>
<italic>N</italic>
]zinc(II) complex is composed of parallel pairs of layers with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å.</p>
</abstract>
<abstract><p>The title compound, [Zn(C<sub>72</sub>
H<sub>44</sub>
N<sub>4</sub>
O<sub>8</sub>
)(C<sub>4</sub>
H<sub>10</sub>
N<sub>2</sub>
)] or [Zn(TPBP)(pipz] (where TPBP and pipz are 5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato and piperazine ligands respectively), features a distorted square-pyramidal coordination geometry about the central Zn<sup>II</sup>
 atom. This central atom is chelated by the four N atoms of the porphyrinate anion and further coordinated by a nitrogen atom of the piperazine axial ligand, which adopts a chair confirmation. The average Zn—N(pyrrole) bond length is 2.078 (7) Å and the Zn— N(pipz) bond length is 2.1274 (19) Å. The zinc cation is displaced by 0.4365 (4) Å from the N<sub>4</sub>
C<sub>20</sub>
 mean plane of the porphyrinate anion toward the piperazine axial ligand. This porphyrinate macrocycle exhibits major <italic>saddle</italic>
 and moderate <italic>ruffling</italic>
 deformations. In the crystal, the supramolecular structure is made by parallel pairs of layers along (100), with an interlayer distance of 4.100 Å while the distance between two pairs of layers is 4.047 Å. A region of electron density was treated with the SQUEEZE [Spek (2015<xref ref-type="bibr" rid="bb22"> ▸</xref>
). Acta Cryst. C71, 9–18] procedure in <italic>PLATON</italic>
 following unsuccessful attempts to model it as being part of disordered <italic>n</italic>
-hexane solvent and water molecules. The given chemical formula and other crystal data do not take into account these solvent molecules.</p>
</abstract>
<kwd-group><kwd>crystal structure</kwd>
<kwd>zinc porphyrin</kwd>
<kwd>piperazine</kwd>
<kwd>hydrogen bonds</kwd>
<kwd>UV–visible spectra</kwd>
</kwd-group>
</article-meta>
</front>
<body><sec id="sec1"><title>Chemical context   </title>
<p>The Zn<sup>II</sup>
 ion is one of the most prevalent metal ions as the metal center of a metalloporphyrin. Indeed, zinc porphyrin complexes provide simpler systems than those of iron, cobalt, or other <italic>d</italic>
 transition metals to evaluate the influence of a wide range of different ligands on the spectroscopic and structural properties of complexed porphyrins. The metal ion is unambiguously in the +II oxidation state; in most cases, four-coordinate (porphyrinato) zinc complexes will accept one axial ligand to form complexes with a coordination number of five for the metal (Denden <italic>et al.</italic>
, 2015<xref ref-type="bibr" rid="bb6"> ▸</xref>
). Nevertheless, zinc porphyrins with a coordination number of six for the metal have also been reported (Shukla <italic>et al.</italic>
, 2000<xref ref-type="bibr" rid="bb20"> ▸</xref>
; Oberda <italic>et al.</italic>
, 2013<xref ref-type="bibr" rid="bb16"> ▸</xref>
).<chem-struct id="scheme2"><graphic xlink:href="e-72-00937-scheme2.jpg" position="float"></graphic>
</chem-struct>
<chem-struct id="scheme1"><graphic xlink:href="e-72-00937-scheme1.jpg" position="float"></graphic>
</chem-struct>
</p>
<p>In the literature, an important number of zinc–pyridine (and substituted pyridines) metalloporphyrins have been reported, <italic>e.g.</italic>
 [Zn(TPP)(py)] (TPP = 5,10,15,20-tetraphenylporphyrinato) (Devillers <italic>et al.</italic>
, 2013<xref ref-type="bibr" rid="bb7"> ▸</xref>
). This is also the case for other related cyclic N-donor ligands such as dabco (1,4-diazabicyclo[2.2.2]octane) and pyz (pyrazine)<xref ref-type="chem" rid="scheme2"></xref>
, <italic>e.g.</italic>
 [Zn(OEP)(dabco)] (OEP = octaethylporphyrinato) (Konarev <italic>et al.</italic>
, 2009<xref ref-type="bibr" rid="bb10"> ▸</xref>
) and [Zn(TPP)(pyz)] (Byrn <italic>et al.</italic>
, 1993<xref ref-type="bibr" rid="bb5"> ▸</xref>
). Notably, to date no zinc–piperazine porphyrin structure has been reported in the literature. In this work, we have focused on the crystal structure and the UV–visible characterizations of the new zinc porphyrin title complex, namely the (piperazine){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato}zinc complex (I)<xref ref-type="chem" rid="scheme1"></xref>
.</p>
</sec>
<sec id="sec2"><title>Structural commentary   </title>
<p>The Zn<sup>II</sup>
 cation is chelated by four pyrrole-N atoms of the porphyrinate anion and coordinated by a nitrogen atom of the piperazine axial ligand in a distorted square-pyramidal geometry. The piperazine ligand adopts the usual <italic>chair</italic>
 conformation (Fig. 1<xref ref-type="fig" rid="fig1"> ▸</xref>
). The Zn<sup>__</sup>
N(pipz) bond length [2.1274 (19) Å] is considerably longer than the related non-porphyrinic zinc–pipz distances which are in the range 2.039 (3)–2.064 (2) Å (Suen <italic>et al.</italic>
, 2002<xref ref-type="bibr" rid="bb23"> ▸</xref>
; Nguyen <italic>et al.</italic>
, 2006<xref ref-type="bibr" rid="bb14"> ▸</xref>
) but shorter than that of the zinc–dimethylpiperazine [{Zn(TPP})<sub>2</sub>
(μ<sub>2</sub>
-N,N′-dimethylpiperazine)] [2.250 (2) Å; Konarev <italic>et al.</italic>
, 2007<xref ref-type="bibr" rid="bb11"> ▸</xref>
]. The average equatorial zinc–N(pyrrole) distance (Zn—Np) is 2.078 (7) Å, which is close to those of related zinc metalloporphyrins of type [Zn(Porph)(<italic>L</italic>
)] (Porph and <italic>L</italic>
 are a porphyrinato and a monodentate neutral ligand, respectively; Byrn <italic>et al.</italic>
, 1993; Lipstman <italic>et al.</italic>
, 2006<xref ref-type="bibr" rid="bb12"> ▸</xref>
). Fig. 2<xref ref-type="fig" rid="fig2"> ▸</xref>
 is a formal diagram of the porphyrinato core atoms of (I)<xref ref-type="chem" rid="scheme1"></xref>
 showing the displacements of each atom from the mean plane of the 24-atom porphyrin macrocycle in units of 0.01 Å. The zinc atom is displaced by 0.4365 (4) Å from the 24-atom porphyrin mean plane (P<sub>C</sub>
). This Zn<sup>__</sup>
P<sub>C</sub>
 distance is close to those of [Zn(OEP)(dabco)] (Konarev <italic>et al.</italic>
, 2009<xref ref-type="bibr" rid="bb10"> ▸</xref>
) and [Zn(TPP)(pyridine)] which are 0.572 and 0.418 Å, respectively (Furuta <italic>et al.</italic>
, 2002<xref ref-type="bibr" rid="bb9"> ▸</xref>
). The porphyrin core presents a major <italic>saddle</italic>
 and a moderate <italic>ruffling</italic>
 distortion (Scheidt & Lee, 1987<xref ref-type="bibr" rid="bb17"> ▸</xref>
). The <italic>saddle</italic>
 deformation is due to the displacement of the pyrrole rings alternately above and below the mean porphyrin macrocycle so that the pyrrole nitrogen atoms are out of the mean plane. The <italic>ruffling</italic>
 distortion is indicated by the high values of the displacement of the meso-carbon atoms above and below the porphyrin mean plane.</p>
</sec>
<sec id="sec3"><title>Supramolecular features   </title>
<p>In the crystal of compound (I)<xref ref-type="chem" rid="scheme1"></xref>
, the [Zn(TPBP)(pipz)] molecules are linked together in such way to make a pair of layers, parallel to (100), which are parallel to other pairs. The overall supramolecular architecture in (I)<xref ref-type="chem" rid="scheme1"></xref>
 is two-dimensional (Fig. 3<xref ref-type="fig" rid="fig3"> ▸</xref>
). The distance between two layers is 4.100 Å while the pairs of layers are spaced apart by 4.047 Å. Within a layer, the linkage of the [Zn(TPBP)(pipz)] molecules is accomplished by C<sup>__</sup>
H⋯π interactions between the carbon atom C56 of a phenyl ring of one TPBP porphyrinate and the centroid <italic>Cg</italic>
10 of a phenyl ring of an adjacent TPBP species [C56<sup>__</sup>
H56⋯<italic>Cg</italic>
10 = 3.623 (3) Å; Table 1<xref ref-type="table" rid="table1"> ▸</xref>
). Each pair of layers is stabilized by N<sup>__</sup>
H⋯O hydrogen bonds, C<sup>__</sup>
H⋯O and C<sup>__</sup>
H⋯π intermolecular interactions (Table 1<xref ref-type="table" rid="table1"> ▸</xref>
, Figs. 4<xref ref-type="fig" rid="fig4"> ▸</xref>
 and 5<xref ref-type="fig" rid="fig5"> ▸</xref>
). The values of these bond lengths are 2.904 (3) Å for N5<sup>__</sup>
H5⋯O4, 3.284 (4) Å for C51<sup>__</sup>
H51⋯O8, 3.566 (3) Å for C64<sup>__</sup>
H64⋯<italic>Cg</italic>
15 and 3.672 (3) Å for C69<sup>__</sup>
H69⋯<italic>Cg</italic>
11 (Table 1<xref ref-type="table" rid="table1"> ▸</xref>
, Fig. 4<xref ref-type="fig" rid="fig4"> ▸</xref>
). The parallel pairs of layers are sustained by the N6<sup>__</sup>
H6⋯N1 weak hydrogen bond [3.434 (4) Å], the C63<sup>__</sup>
H62⋯O6 [3.339 (4) Å], the C39<sup>__</sup>
H39⋯<italic>Cg</italic>
3 [3.392 (2) Å], the C48<sup>__</sup>
H48⋯<italic>Cg</italic>
12 [3.755 (3) Å] and the C49<sup>__</sup>
H49⋯<italic>Cg</italic>
17 [3.804 (3) Å] intermolecular interactions.</p>
</sec>
<sec id="sec4"><title>Synthesis and crystallization   </title>
<sec id="sec4.1"><title>Synthesis of the starting materials   </title>
<p>The {5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrin} (H<sub>2</sub>
TPBP) and the [Zn(TPBP)] starting complex were synthesized using modified reported methods (Adler <italic>et al.</italic>
, 1967<xref ref-type="bibr" rid="bb1"> ▸</xref>
; Oberda <italic>et al.</italic>
, 2011<xref ref-type="bibr" rid="bb15"> ▸</xref>
).</p>
</sec>
<sec id="sec4.2"><title>Synthesis of the Synthesis and crystallization of the title complex (I)   </title>
<p>To a solution of the [Zn(TPBP)] starting material (100 mg, 0.086 mmol) in chloroform (5 mL) was added an excess of piperazine hexahydrate (200 mg, 1.0297 mmol). The reaction mixture was stirred at room temperature for 2 h. Crystals of the title complex were obtained by diffusion of hexanes through the chloroform solution. UV/Vis (CHCl<sub>3</sub>
/solid), λ<sub>max</sub>
: 430/445, 563/568, 603/609.</p>
</sec>
</sec>
<sec id="sec5"><title>UV-visible spectra   </title>
<p>The UV–visible spectra (CHCl<sub>3</sub>
 solution/solid state) were recorded on a WinASPECT PLUS (validation for SPECORD PLUS version 4.2) scanning spectrophotometer. Fig. 6<xref ref-type="fig" rid="fig6"> ▸</xref>
 illustrates the electronic spectra of the solid [Zn(TPBP)] complex, used as starting material, and complex (I)<xref ref-type="chem" rid="scheme1"></xref>
 which shows that the Soret and Q band of the latter species is red-shifted compared to those of the starting material. Thus, the λ<sub>max</sub>
 (in nm) values of the Soret and Q bands of [Zn(TPBP)] and (I)<xref ref-type="chem" rid="scheme1"></xref>
 are 438/445, 563/568 and 606/609 respectively. By the other hand, for (I)<xref ref-type="chem" rid="scheme1"></xref>
, the values of theses absorption bands in chloroform are blue-shifted compared to those in the solid state. In fact the λ<sub>max</sub>
 (in nm) values are 430/445 for the Soret band and 563/568 and 603/609 for the Q bands.</p>
</sec>
<sec id="sec6"><title>Refinement   </title>
<p>Crystal data, data collection and structure refinement details are summarized in Table 2<xref ref-type="table" rid="table2"> ▸</xref>
. In the final refinement of (I)<xref ref-type="chem" rid="scheme1"></xref>
 four reflections, <italic>viz</italic>
. (121), (1<inline-formula><inline-graphic xlink:href="e-72-00937-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
1), (<inline-formula><inline-graphic xlink:href="e-72-00937-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
24) and (700), were omitted owing to poor agreements between observed and calculated intensities.</p>
<p>All H atoms attached to C atoms were fixed geometrically and treated as riding with C—H = 0.99 Å (methylene) and 0.95 Å (aromatic) with <italic>U</italic>
<sub>iso</sub>
(H) = 1.2<italic>U</italic>
<sub>eq</sub>
(C). The two H atoms of the piperazine axial ligand were found in the difference Fourier map and the hydrogen atom of the nitrogen N5 of the piperazine ligand coordinating to the Zn<sup>2+</sup>
 atom was freely refined while the hydrogen atom of the second nitrogen (N6) of the piperazine ligand was refined with fixed isotropic displacement parameters with <italic>U</italic>
<sub>iso</sub>
 =1.2<italic>U</italic>
<sub>eq</sub>
(N6). The bond length N5<sup>__</sup>
H5 of the piperzine axial ligand was restrained to ensure proper geometry using DFIX instruction of <italic>SHELXL2014</italic>
 (Sheldrick, 2015<xref ref-type="bibr" rid="bb19"> ▸</xref>
). The anisotropic displacement ellipsoids of the carbon and nitrogen atoms of the same piperazine ligand were very elongated, which indicates static disorder. For these atoms, a SIMU restraint was applied (McArdle, 1995<xref ref-type="bibr" rid="bb13"> ▸</xref>
; Sheldrick, 2008<xref ref-type="bibr" rid="bb18"> ▸</xref>
). An unknown <italic>n</italic>
-hexane and water disordered molecules were difficult to model, therefore solvent contributions to the scattering have been removed using the SQUEEZE procedure (Spek, 2015<xref ref-type="bibr" rid="bb22"> ▸</xref>
) in <italic>PLATON</italic>
 (Spek, 2009<xref ref-type="bibr" rid="bb21"> ▸</xref>
). SQUEEZE calculated a void volume of approximately 530 Å<sup>3</sup>
 occupied by 60 electrons per unit cell, which points to the presence of approximately a half <italic>n</italic>
-hexane and a water molecule per formula unit. Fig. 7<xref ref-type="fig" rid="fig7"> ▸</xref>
 shows the positions of the voids within the unit cell.</p>
</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/S2056989016009269/lh5815sup1.cif">10.1107/S2056989016009269/lh5815sup1.cif</ext-link>
</p>
<media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-72-00937-sup1.cif" xlink:type="simple" id="d36e166" 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/S2056989016009269/lh5815Isup2.hkl">10.1107/S2056989016009269/lh5815Isup2.hkl</ext-link>
</p>
<media mimetype="text" mime-subtype="plain" xlink:href="e-72-00937-Isup2.hkl" xlink:type="simple" id="d36e173" 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=1483991">1483991</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?lh5815&file=lh5815sup0.html&mime=text/html">crystallographic information</ext-link>
; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?lh5815sup1&Qmime=cif">3D view</ext-link>
; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?lh5815&checkcif=yes">checkCIF report</ext-link>
</p>
</supplementary-material>
</sec>
</body>
<back><ack><p>The authors gratefully acknowledge financial support from the Ministry of Higher Education and Scientific Research of Tunisia.</p>
</ack>
<app-group><app><title>supplementary crystallographic information</title>
<sec id="tablewrapcrystaldatalong"><title>Crystal data</title>
<table-wrap position="anchor" id="d1e34"><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">[Zn(C<sub>72</sub>
H<sub>44</sub>
N<sub>4</sub>
O<sub>8</sub>
)(C<sub>4</sub>
H<sub>10</sub>
N<sub>2</sub>
)]</td>
<td rowspan="1" colspan="1"><italic>Z</italic>
 = 2</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>M</italic>
<italic><sub>r</sub>
</italic>
 = 1244.62</td>
<td rowspan="1" colspan="1"><italic>F</italic>
(000) = 1292</td>
</tr>
<tr><td rowspan="1" colspan="1">Triclinic, <italic>P</italic>
1</td>
<td rowspan="1" colspan="1"><italic>D</italic>
<sub>x</sub>
 = 1.229 Mg m<sup>−</sup>
<sup>3</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>a</italic>
 = 8.4332 (8) Å</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>b</italic>
 = 20.1895 (17) Å</td>
<td rowspan="1" colspan="1">Cell parameters from 9221 reflections</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>c</italic>
 = 21.0104 (19) Å</td>
<td rowspan="1" colspan="1">θ = 2.5–27.5°</td>
</tr>
<tr><td rowspan="1" colspan="1">α = 102.338 (3)°</td>
<td rowspan="1" colspan="1">µ = 0.43 mm<sup>−</sup>
<sup>1</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1">β = 100.996 (3)°</td>
<td rowspan="1" colspan="1"><italic>T</italic>
 = 150 K</td>
</tr>
<tr><td rowspan="1" colspan="1">γ = 98.412 (3)°</td>
<td rowspan="1" colspan="1">Prism, blue</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>V</italic>
 = 3364.6 (5) Å<sup>3</sup>
</td>
<td rowspan="1" colspan="1">0.30 × 0.20 × 0.16 mm</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewrapdatacollectionlong"><title>Data collection</title>
<table-wrap position="anchor" id="d1e176"><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">D8 VENTURE Bruker AXS diffractometer</td>
<td rowspan="1" colspan="1">11791 reflections with <italic>I</italic>
 > 2σ(<italic>I</italic>
)</td>
</tr>
<tr><td rowspan="1" colspan="1">rotation images scans</td>
<td rowspan="1" colspan="1"><italic>R</italic>
<sub>int</sub>
 = 0.028</td>
</tr>
<tr><td rowspan="1" colspan="1">Absorption correction: multi-scan (SADABS; Bruker, 2015)</td>
<td rowspan="1" colspan="1">θ<sub>max</sub>
 = 26.0°, θ<sub>min</sub>
 = 2.9°</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>T</italic>
<sub>min</sub>
 = 0.684, <italic>T</italic>
<sub>max</sub>
 = 0.746</td>
<td rowspan="1" colspan="1"><italic>h</italic>
 = −10→10</td>
</tr>
<tr><td rowspan="1" colspan="1">60504 measured reflections</td>
<td rowspan="1" colspan="1"><italic>k</italic>
 = −23→24</td>
</tr>
<tr><td rowspan="1" colspan="1">13198 independent reflections</td>
<td rowspan="1" colspan="1"><italic>l</italic>
 = −25→25</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewraprefinementdatalong"><title>Refinement</title>
<table-wrap position="anchor" id="d1e280"><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">43 restraints</td>
</tr>
<tr><td rowspan="1" colspan="1">Least-squares matrix: full</td>
<td rowspan="1" colspan="1">Hydrogen site location: mixed</td>
</tr>
<tr><td rowspan="1" colspan="1"><italic>R</italic>
[<italic>F</italic>
<sup>2</sup>
 > 2σ(<italic>F</italic>
<sup>2</sup>
)] = 0.043</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>wR</italic>
(<italic>F</italic>
<sup>2</sup>
) = 0.119</td>
<td rowspan="1" colspan="1"><italic>w</italic>
 = 1/[σ<sup>2</sup>
(<italic>F</italic>
<sub>o</sub>
<sup>2</sup>
) + (0.0565<italic>P</italic>
)<sup>2</sup>
 + 3.3556<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"><italic>S</italic>
 = 1.05</td>
<td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub>
 = 0.002</td>
</tr>
<tr><td rowspan="1" colspan="1">13198 reflections</td>
<td rowspan="1" colspan="1">Δρ<sub>max</sub>
 = 0.63 e Å<sup>−</sup>
<sup>3</sup>
</td>
</tr>
<tr><td rowspan="1" colspan="1">827 parameters</td>
<td rowspan="1" colspan="1">Δρ<sub>min</sub>
 = −0.54 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="d1e432"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.</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="d1e453"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"><italic>x</italic>
</td>
<td rowspan="1" colspan="1"><italic>y</italic>
</td>
<td rowspan="1" colspan="1"><italic>z</italic>
</td>
<td rowspan="1" colspan="1"><italic>U</italic>
<sub>iso</sub>
*/<italic>U</italic>
<sub>eq</sub>
</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">Zn</td>
<td rowspan="1" colspan="1">0.31335 (3)</td>
<td rowspan="1" colspan="1">0.69459 (2)</td>
<td rowspan="1" colspan="1">0.65779 (2)</td>
<td rowspan="1" colspan="1">0.01812 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N1</td>
<td rowspan="1" colspan="1">0.2782 (2)</td>
<td rowspan="1" colspan="1">0.75429 (8)</td>
<td rowspan="1" colspan="1">0.74622 (8)</td>
<td rowspan="1" colspan="1">0.0211 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N2</td>
<td rowspan="1" colspan="1">0.2627 (2)</td>
<td rowspan="1" colspan="1">0.60823 (8)</td>
<td rowspan="1" colspan="1">0.69420 (8)</td>
<td rowspan="1" colspan="1">0.0206 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N3</td>
<td rowspan="1" colspan="1">0.2614 (2)</td>
<td rowspan="1" colspan="1">0.62837 (8)</td>
<td rowspan="1" colspan="1">0.56245 (8)</td>
<td rowspan="1" colspan="1">0.0197 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N4</td>
<td rowspan="1" colspan="1">0.2644 (2)</td>
<td rowspan="1" colspan="1">0.77404 (8)</td>
<td rowspan="1" colspan="1">0.61332 (8)</td>
<td rowspan="1" colspan="1">0.0194 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N5</td>
<td rowspan="1" colspan="1">0.5751 (2)</td>
<td rowspan="1" colspan="1">0.71283 (11)</td>
<td rowspan="1" colspan="1">0.67848 (10)</td>
<td rowspan="1" colspan="1">0.0301 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H5</td>
<td rowspan="1" colspan="1">0.602 (4)</td>
<td rowspan="1" colspan="1">0.7385 (17)</td>
<td rowspan="1" colspan="1">0.6565 (17)</td>
<td rowspan="1" colspan="1">0.056 (9)*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N6</td>
<td rowspan="1" colspan="1">0.8803 (3)</td>
<td rowspan="1" colspan="1">0.6862 (3)</td>
<td rowspan="1" colspan="1">0.74598 (19)</td>
<td rowspan="1" colspan="1">0.0930 (13)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H6</td>
<td rowspan="1" colspan="1">0.997 (2)</td>
<td rowspan="1" colspan="1">0.692 (2)</td>
<td rowspan="1" colspan="1">0.754 (2)</td>
<td rowspan="1" colspan="1">0.112*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O1</td>
<td rowspan="1" colspan="1">0.2385 (2)</td>
<td rowspan="1" colspan="1">0.60093 (8)</td>
<td rowspan="1" colspan="1">1.05857 (7)</td>
<td rowspan="1" colspan="1">0.0349 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O2</td>
<td rowspan="1" colspan="1">0.2374 (3)</td>
<td rowspan="1" colspan="1">0.49041 (10)</td>
<td rowspan="1" colspan="1">1.01050 (9)</td>
<td rowspan="1" colspan="1">0.0596 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O3</td>
<td rowspan="1" colspan="1">0.2188 (2)</td>
<td rowspan="1" colspan="1">0.22666 (7)</td>
<td rowspan="1" colspan="1">0.51518 (8)</td>
<td rowspan="1" colspan="1">0.0293 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O4</td>
<td rowspan="1" colspan="1">0.2934 (4)</td>
<td rowspan="1" colspan="1">0.22820 (11)</td>
<td rowspan="1" colspan="1">0.41963 (11)</td>
<td rowspan="1" colspan="1">0.0704 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O5</td>
<td rowspan="1" colspan="1">0.2117 (2)</td>
<td rowspan="1" colspan="1">0.75993 (8)</td>
<td rowspan="1" colspan="1">0.23573 (7)</td>
<td rowspan="1" colspan="1">0.0282 (3)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O6</td>
<td rowspan="1" colspan="1">0.1746 (3)</td>
<td rowspan="1" colspan="1">0.86806 (10)</td>
<td rowspan="1" colspan="1">0.27232 (9)</td>
<td rowspan="1" colspan="1">0.0504 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O7</td>
<td rowspan="1" colspan="1">0.2304 (2)</td>
<td rowspan="1" colspan="1">1.14575 (8)</td>
<td rowspan="1" colspan="1">0.80769 (9)</td>
<td rowspan="1" colspan="1">0.0390 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">O8</td>
<td rowspan="1" colspan="1">0.3722 (3)</td>
<td rowspan="1" colspan="1">1.17651 (10)</td>
<td rowspan="1" colspan="1">0.73573 (13)</td>
<td rowspan="1" colspan="1">0.0715 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C1</td>
<td rowspan="1" colspan="1">0.2767 (3)</td>
<td rowspan="1" colspan="1">0.82347 (10)</td>
<td rowspan="1" colspan="1">0.76077 (10)</td>
<td rowspan="1" colspan="1">0.0230 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C2</td>
<td rowspan="1" colspan="1">0.2803 (3)</td>
<td rowspan="1" colspan="1">0.84814 (11)</td>
<td rowspan="1" colspan="1">0.83101 (11)</td>
<td rowspan="1" colspan="1">0.0319 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H2</td>
<td rowspan="1" colspan="1">0.2803</td>
<td rowspan="1" colspan="1">0.8942</td>
<td rowspan="1" colspan="1">0.8538</td>
<td rowspan="1" colspan="1">0.038*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C3</td>
<td rowspan="1" colspan="1">0.2836 (3)</td>
<td rowspan="1" colspan="1">0.79322 (11)</td>
<td rowspan="1" colspan="1">0.85815 (11)</td>
<td rowspan="1" colspan="1">0.0309 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H3</td>
<td rowspan="1" colspan="1">0.2872</td>
<td rowspan="1" colspan="1">0.7934</td>
<td rowspan="1" colspan="1">0.9037</td>
<td rowspan="1" colspan="1">0.037*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C4</td>
<td rowspan="1" colspan="1">0.2804 (3)</td>
<td rowspan="1" colspan="1">0.73428 (11)</td>
<td rowspan="1" colspan="1">0.80492 (10)</td>
<td rowspan="1" colspan="1">0.0228 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C5</td>
<td rowspan="1" colspan="1">0.2646 (2)</td>
<td rowspan="1" colspan="1">0.66604 (11)</td>
<td rowspan="1" colspan="1">0.81071 (10)</td>
<td rowspan="1" colspan="1">0.0215 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C6</td>
<td rowspan="1" colspan="1">0.2465 (2)</td>
<td rowspan="1" colspan="1">0.60762 (10)</td>
<td rowspan="1" colspan="1">0.75811 (10)</td>
<td rowspan="1" colspan="1">0.0204 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C7</td>
<td rowspan="1" colspan="1">0.2050 (3)</td>
<td rowspan="1" colspan="1">0.53744 (11)</td>
<td rowspan="1" colspan="1">0.76309 (10)</td>
<td rowspan="1" colspan="1">0.0257 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H7</td>
<td rowspan="1" colspan="1">0.1861</td>
<td rowspan="1" colspan="1">0.5230</td>
<td rowspan="1" colspan="1">0.8016</td>
<td rowspan="1" colspan="1">0.031*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C8</td>
<td rowspan="1" colspan="1">0.1981 (3)</td>
<td rowspan="1" colspan="1">0.49601 (11)</td>
<td rowspan="1" colspan="1">0.70258 (11)</td>
<td rowspan="1" colspan="1">0.0262 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H8</td>
<td rowspan="1" colspan="1">0.1720</td>
<td rowspan="1" colspan="1">0.4469</td>
<td rowspan="1" colspan="1">0.6904</td>
<td rowspan="1" colspan="1">0.031*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C9</td>
<td rowspan="1" colspan="1">0.2378 (2)</td>
<td rowspan="1" colspan="1">0.54025 (10)</td>
<td rowspan="1" colspan="1">0.65971 (10)</td>
<td rowspan="1" colspan="1">0.0208 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C10</td>
<td rowspan="1" colspan="1">0.2509 (2)</td>
<td rowspan="1" colspan="1">0.51649 (10)</td>
<td rowspan="1" colspan="1">0.59287 (10)</td>
<td rowspan="1" colspan="1">0.0211 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C11</td>
<td rowspan="1" colspan="1">0.2661 (2)</td>
<td rowspan="1" colspan="1">0.55911 (10)</td>
<td rowspan="1" colspan="1">0.54829 (10)</td>
<td rowspan="1" colspan="1">0.0206 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C12</td>
<td rowspan="1" colspan="1">0.2819 (3)</td>
<td rowspan="1" colspan="1">0.53651 (11)</td>
<td rowspan="1" colspan="1">0.48024 (10)</td>
<td rowspan="1" colspan="1">0.0252 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H12</td>
<td rowspan="1" colspan="1">0.2920</td>
<td rowspan="1" colspan="1">0.4915</td>
<td rowspan="1" colspan="1">0.4585</td>
<td rowspan="1" colspan="1">0.030*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C13</td>
<td rowspan="1" colspan="1">0.2798 (3)</td>
<td rowspan="1" colspan="1">0.59145 (11)</td>
<td rowspan="1" colspan="1">0.45319 (10)</td>
<td rowspan="1" colspan="1">0.0251 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H13</td>
<td rowspan="1" colspan="1">0.2860</td>
<td rowspan="1" colspan="1">0.5920</td>
<td rowspan="1" colspan="1">0.4086</td>
<td rowspan="1" colspan="1">0.030*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C14</td>
<td rowspan="1" colspan="1">0.2662 (2)</td>
<td rowspan="1" colspan="1">0.64918 (10)</td>
<td rowspan="1" colspan="1">0.50448 (9)</td>
<td rowspan="1" colspan="1">0.0204 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C15</td>
<td rowspan="1" colspan="1">0.2564 (2)</td>
<td rowspan="1" colspan="1">0.71571 (10)</td>
<td rowspan="1" colspan="1">0.49630 (9)</td>
<td rowspan="1" colspan="1">0.0198 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C16</td>
<td rowspan="1" colspan="1">0.2521 (2)</td>
<td rowspan="1" colspan="1">0.77297 (10)</td>
<td rowspan="1" colspan="1">0.54688 (9)</td>
<td rowspan="1" colspan="1">0.0200 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C17</td>
<td rowspan="1" colspan="1">0.2310 (3)</td>
<td rowspan="1" colspan="1">0.83986 (11)</td>
<td rowspan="1" colspan="1">0.53666 (10)</td>
<td rowspan="1" colspan="1">0.0266 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H17</td>
<td rowspan="1" colspan="1">0.2174</td>
<td rowspan="1" colspan="1">0.8526</td>
<td rowspan="1" colspan="1">0.4953</td>
<td rowspan="1" colspan="1">0.032*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C18</td>
<td rowspan="1" colspan="1">0.2342 (3)</td>
<td rowspan="1" colspan="1">0.88089 (11)</td>
<td rowspan="1" colspan="1">0.59688 (11)</td>
<td rowspan="1" colspan="1">0.0288 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H18</td>
<td rowspan="1" colspan="1">0.2246</td>
<td rowspan="1" colspan="1">0.9281</td>
<td rowspan="1" colspan="1">0.6059</td>
<td rowspan="1" colspan="1">0.035*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C19</td>
<td rowspan="1" colspan="1">0.2547 (2)</td>
<td rowspan="1" colspan="1">0.83975 (10)</td>
<td rowspan="1" colspan="1">0.64507 (10)</td>
<td rowspan="1" colspan="1">0.0220 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C20</td>
<td rowspan="1" colspan="1">0.2640 (3)</td>
<td rowspan="1" colspan="1">0.86390 (10)</td>
<td rowspan="1" colspan="1">0.71389 (10)</td>
<td rowspan="1" colspan="1">0.0234 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C21</td>
<td rowspan="1" colspan="1">0.2579 (3)</td>
<td rowspan="1" colspan="1">0.65248 (10)</td>
<td rowspan="1" colspan="1">0.87802 (10)</td>
<td rowspan="1" colspan="1">0.0226 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C22</td>
<td rowspan="1" colspan="1">0.1093 (3)</td>
<td rowspan="1" colspan="1">0.63974 (14)</td>
<td rowspan="1" colspan="1">0.89588 (11)</td>
<td rowspan="1" colspan="1">0.0364 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H22</td>
<td rowspan="1" colspan="1">0.0111</td>
<td rowspan="1" colspan="1">0.6433</td>
<td rowspan="1" colspan="1">0.8671</td>
<td rowspan="1" colspan="1">0.044*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C23</td>
<td rowspan="1" colspan="1">0.1023 (3)</td>
<td rowspan="1" colspan="1">0.62159 (14)</td>
<td rowspan="1" colspan="1">0.95589 (12)</td>
<td rowspan="1" colspan="1">0.0379 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H23</td>
<td rowspan="1" colspan="1">−0.0002</td>
<td rowspan="1" colspan="1">0.6123</td>
<td rowspan="1" colspan="1">0.9680</td>
<td rowspan="1" colspan="1">0.045*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C24</td>
<td rowspan="1" colspan="1">0.2450 (3)</td>
<td rowspan="1" colspan="1">0.61738 (11)</td>
<td rowspan="1" colspan="1">0.99694 (10)</td>
<td rowspan="1" colspan="1">0.0290 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C25</td>
<td rowspan="1" colspan="1">0.3944 (3)</td>
<td rowspan="1" colspan="1">0.63187 (16)</td>
<td rowspan="1" colspan="1">0.98167 (13)</td>
<td rowspan="1" colspan="1">0.0460 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H25</td>
<td rowspan="1" colspan="1">0.4926</td>
<td rowspan="1" colspan="1">0.6298</td>
<td rowspan="1" colspan="1">1.0115</td>
<td rowspan="1" colspan="1">0.055*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C26</td>
<td rowspan="1" colspan="1">0.4004 (3)</td>
<td rowspan="1" colspan="1">0.64969 (16)</td>
<td rowspan="1" colspan="1">0.92169 (13)</td>
<td rowspan="1" colspan="1">0.0417 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H26</td>
<td rowspan="1" colspan="1">0.5037</td>
<td rowspan="1" colspan="1">0.6601</td>
<td rowspan="1" colspan="1">0.9106</td>
<td rowspan="1" colspan="1">0.050*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C27</td>
<td rowspan="1" colspan="1">0.2413 (3)</td>
<td rowspan="1" colspan="1">0.53406 (12)</td>
<td rowspan="1" colspan="1">1.05929 (11)</td>
<td rowspan="1" colspan="1">0.0334 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C28</td>
<td rowspan="1" colspan="1">0.2507 (3)</td>
<td rowspan="1" colspan="1">0.52300 (11)</td>
<td rowspan="1" colspan="1">1.12744 (10)</td>
<td rowspan="1" colspan="1">0.0274 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C29</td>
<td rowspan="1" colspan="1">0.2114 (3)</td>
<td rowspan="1" colspan="1">0.56867 (13)</td>
<td rowspan="1" colspan="1">1.17817 (11)</td>
<td rowspan="1" colspan="1">0.0352 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H29</td>
<td rowspan="1" colspan="1">0.1766</td>
<td rowspan="1" colspan="1">0.6096</td>
<td rowspan="1" colspan="1">1.1708</td>
<td rowspan="1" colspan="1">0.042*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C30</td>
<td rowspan="1" colspan="1">0.2235 (4)</td>
<td rowspan="1" colspan="1">0.55373 (15)</td>
<td rowspan="1" colspan="1">1.24035 (12)</td>
<td rowspan="1" colspan="1">0.0439 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H30</td>
<td rowspan="1" colspan="1">0.1964</td>
<td rowspan="1" colspan="1">0.5848</td>
<td rowspan="1" colspan="1">1.2756</td>
<td rowspan="1" colspan="1">0.053*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C31</td>
<td rowspan="1" colspan="1">0.2737 (3)</td>
<td rowspan="1" colspan="1">0.49517 (14)</td>
<td rowspan="1" colspan="1">1.25143 (12)</td>
<td rowspan="1" colspan="1">0.0402 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H31</td>
<td rowspan="1" colspan="1">0.2793</td>
<td rowspan="1" colspan="1">0.4852</td>
<td rowspan="1" colspan="1">1.2939</td>
<td rowspan="1" colspan="1">0.048*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C32</td>
<td rowspan="1" colspan="1">0.3166 (4)</td>
<td rowspan="1" colspan="1">0.45029 (14)</td>
<td rowspan="1" colspan="1">1.20094 (14)</td>
<td rowspan="1" colspan="1">0.0474 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H32</td>
<td rowspan="1" colspan="1">0.3549</td>
<td rowspan="1" colspan="1">0.4102</td>
<td rowspan="1" colspan="1">1.2091</td>
<td rowspan="1" colspan="1">0.057*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C33</td>
<td rowspan="1" colspan="1">0.3039 (4)</td>
<td rowspan="1" colspan="1">0.46368 (13)</td>
<td rowspan="1" colspan="1">1.13876 (13)</td>
<td rowspan="1" colspan="1">0.0409 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H33</td>
<td rowspan="1" colspan="1">0.3315</td>
<td rowspan="1" colspan="1">0.4325</td>
<td rowspan="1" colspan="1">1.1037</td>
<td rowspan="1" colspan="1">0.049*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C34</td>
<td rowspan="1" colspan="1">0.2463 (2)</td>
<td rowspan="1" colspan="1">0.44089 (10)</td>
<td rowspan="1" colspan="1">0.56896 (10)</td>
<td rowspan="1" colspan="1">0.0213 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C35</td>
<td rowspan="1" colspan="1">0.3511 (3)</td>
<td rowspan="1" colspan="1">0.40835 (11)</td>
<td rowspan="1" colspan="1">0.60647 (10)</td>
<td rowspan="1" colspan="1">0.0259 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H35</td>
<td rowspan="1" colspan="1">0.4294</td>
<td rowspan="1" colspan="1">0.4352</td>
<td rowspan="1" colspan="1">0.6456</td>
<td rowspan="1" colspan="1">0.031*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C36</td>
<td rowspan="1" colspan="1">0.3427 (3)</td>
<td rowspan="1" colspan="1">0.33756 (11)</td>
<td rowspan="1" colspan="1">0.58756 (11)</td>
<td rowspan="1" colspan="1">0.0269 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H36</td>
<td rowspan="1" colspan="1">0.4134</td>
<td rowspan="1" colspan="1">0.3159</td>
<td rowspan="1" colspan="1">0.6137</td>
<td rowspan="1" colspan="1">0.032*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C37</td>
<td rowspan="1" colspan="1">0.2300 (3)</td>
<td rowspan="1" colspan="1">0.29906 (10)</td>
<td rowspan="1" colspan="1">0.53018 (10)</td>
<td rowspan="1" colspan="1">0.0235 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C38</td>
<td rowspan="1" colspan="1">0.1260 (2)</td>
<td rowspan="1" colspan="1">0.32938 (10)</td>
<td rowspan="1" colspan="1">0.49152 (10)</td>
<td rowspan="1" colspan="1">0.0229 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H38</td>
<td rowspan="1" colspan="1">0.0499</td>
<td rowspan="1" colspan="1">0.3023</td>
<td rowspan="1" colspan="1">0.4520</td>
<td rowspan="1" colspan="1">0.028*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C39</td>
<td rowspan="1" colspan="1">0.1346 (2)</td>
<td rowspan="1" colspan="1">0.40020 (10)</td>
<td rowspan="1" colspan="1">0.51142 (10)</td>
<td rowspan="1" colspan="1">0.0224 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H39</td>
<td rowspan="1" colspan="1">0.0628</td>
<td rowspan="1" colspan="1">0.4214</td>
<td rowspan="1" colspan="1">0.4852</td>
<td rowspan="1" colspan="1">0.027*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C40</td>
<td rowspan="1" colspan="1">0.2577 (3)</td>
<td rowspan="1" colspan="1">0.19646 (11)</td>
<td rowspan="1" colspan="1">0.45797 (11)</td>
<td rowspan="1" colspan="1">0.0280 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C41</td>
<td rowspan="1" colspan="1">0.2568 (3)</td>
<td rowspan="1" colspan="1">0.12180 (11)</td>
<td rowspan="1" colspan="1">0.44955 (12)</td>
<td rowspan="1" colspan="1">0.0327 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C42</td>
<td rowspan="1" colspan="1">0.2004 (6)</td>
<td rowspan="1" colspan="1">0.08583 (16)</td>
<td rowspan="1" colspan="1">0.4910 (2)</td>
<td rowspan="1" colspan="1">0.0737 (11)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H42</td>
<td rowspan="1" colspan="1">0.1603</td>
<td rowspan="1" colspan="1">0.1080</td>
<td rowspan="1" colspan="1">0.5276</td>
<td rowspan="1" colspan="1">0.088*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C43</td>
<td rowspan="1" colspan="1">0.2028 (9)</td>
<td rowspan="1" colspan="1">0.0150 (2)</td>
<td rowspan="1" colspan="1">0.4782 (3)</td>
<td rowspan="1" colspan="1">0.123 (2)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H43</td>
<td rowspan="1" colspan="1">0.1636</td>
<td rowspan="1" colspan="1">−0.0113</td>
<td rowspan="1" colspan="1">0.5065</td>
<td rowspan="1" colspan="1">0.148*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C44</td>
<td rowspan="1" colspan="1">0.2613 (7)</td>
<td rowspan="1" colspan="1">−0.01704 (18)</td>
<td rowspan="1" colspan="1">0.4251 (2)</td>
<td rowspan="1" colspan="1">0.0913 (15)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H44</td>
<td rowspan="1" colspan="1">0.2608</td>
<td rowspan="1" colspan="1">−0.0652</td>
<td rowspan="1" colspan="1">0.4168</td>
<td rowspan="1" colspan="1">0.110*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C45</td>
<td rowspan="1" colspan="1">0.3189 (4)</td>
<td rowspan="1" colspan="1">0.01918 (15)</td>
<td rowspan="1" colspan="1">0.38517 (17)</td>
<td rowspan="1" colspan="1">0.0591 (8)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H45</td>
<td rowspan="1" colspan="1">0.3621</td>
<td rowspan="1" colspan="1">−0.0027</td>
<td rowspan="1" colspan="1">0.3494</td>
<td rowspan="1" colspan="1">0.071*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C46</td>
<td rowspan="1" colspan="1">0.3148 (3)</td>
<td rowspan="1" colspan="1">0.08787 (14)</td>
<td rowspan="1" colspan="1">0.39637 (14)</td>
<td rowspan="1" colspan="1">0.0445 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H46</td>
<td rowspan="1" colspan="1">0.3524</td>
<td rowspan="1" colspan="1">0.1132</td>
<td rowspan="1" colspan="1">0.3671</td>
<td rowspan="1" colspan="1">0.053*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C47</td>
<td rowspan="1" colspan="1">0.2435 (2)</td>
<td rowspan="1" colspan="1">0.72691 (10)</td>
<td rowspan="1" colspan="1">0.42727 (9)</td>
<td rowspan="1" colspan="1">0.0202 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C48</td>
<td rowspan="1" colspan="1">0.1063 (3)</td>
<td rowspan="1" colspan="1">0.69477 (11)</td>
<td rowspan="1" colspan="1">0.37587 (10)</td>
<td rowspan="1" colspan="1">0.0257 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H48</td>
<td rowspan="1" colspan="1">0.0202</td>
<td rowspan="1" colspan="1">0.6641</td>
<td rowspan="1" colspan="1">0.3840</td>
<td rowspan="1" colspan="1">0.031*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C49</td>
<td rowspan="1" colspan="1">0.0934 (3)</td>
<td rowspan="1" colspan="1">0.70708 (11)</td>
<td rowspan="1" colspan="1">0.31222 (10)</td>
<td rowspan="1" colspan="1">0.0278 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H49</td>
<td rowspan="1" colspan="1">−0.0015</td>
<td rowspan="1" colspan="1">0.6858</td>
<td rowspan="1" colspan="1">0.2774</td>
<td rowspan="1" colspan="1">0.033*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C50</td>
<td rowspan="1" colspan="1">0.2210 (3)</td>
<td rowspan="1" colspan="1">0.75070 (10)</td>
<td rowspan="1" colspan="1">0.30097 (10)</td>
<td rowspan="1" colspan="1">0.0232 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C51</td>
<td rowspan="1" colspan="1">0.3586 (3)</td>
<td rowspan="1" colspan="1">0.78352 (11)</td>
<td rowspan="1" colspan="1">0.35088 (10)</td>
<td rowspan="1" colspan="1">0.0256 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H51</td>
<td rowspan="1" colspan="1">0.4451</td>
<td rowspan="1" colspan="1">0.8135</td>
<td rowspan="1" colspan="1">0.3422</td>
<td rowspan="1" colspan="1">0.031*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C52</td>
<td rowspan="1" colspan="1">0.3682 (3)</td>
<td rowspan="1" colspan="1">0.77189 (11)</td>
<td rowspan="1" colspan="1">0.41419 (10)</td>
<td rowspan="1" colspan="1">0.0240 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H52</td>
<td rowspan="1" colspan="1">0.4615</td>
<td rowspan="1" colspan="1">0.7950</td>
<td rowspan="1" colspan="1">0.4492</td>
<td rowspan="1" colspan="1">0.029*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C53</td>
<td rowspan="1" colspan="1">0.1959 (3)</td>
<td rowspan="1" colspan="1">0.82397 (12)</td>
<td rowspan="1" colspan="1">0.22857 (10)</td>
<td rowspan="1" colspan="1">0.0289 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C54</td>
<td rowspan="1" colspan="1">0.2081 (3)</td>
<td rowspan="1" colspan="1">0.83278 (12)</td>
<td rowspan="1" colspan="1">0.16118 (11)</td>
<td rowspan="1" colspan="1">0.0305 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C55</td>
<td rowspan="1" colspan="1">0.2608 (4)</td>
<td rowspan="1" colspan="1">0.78526 (13)</td>
<td rowspan="1" colspan="1">0.11602 (12)</td>
<td rowspan="1" colspan="1">0.0428 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H55</td>
<td rowspan="1" colspan="1">0.2843</td>
<td rowspan="1" colspan="1">0.7436</td>
<td rowspan="1" colspan="1">0.1262</td>
<td rowspan="1" colspan="1">0.051*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C56</td>
<td rowspan="1" colspan="1">0.2791 (5)</td>
<td rowspan="1" colspan="1">0.79915 (16)</td>
<td rowspan="1" colspan="1">0.05560 (15)</td>
<td rowspan="1" colspan="1">0.0667 (10)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H56</td>
<td rowspan="1" colspan="1">0.3154</td>
<td rowspan="1" colspan="1">0.7669</td>
<td rowspan="1" colspan="1">0.0242</td>
<td rowspan="1" colspan="1">0.080*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C57</td>
<td rowspan="1" colspan="1">0.2445 (6)</td>
<td rowspan="1" colspan="1">0.85958 (18)</td>
<td rowspan="1" colspan="1">0.04113 (15)</td>
<td rowspan="1" colspan="1">0.0726 (11)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H57</td>
<td rowspan="1" colspan="1">0.2590</td>
<td rowspan="1" colspan="1">0.8691</td>
<td rowspan="1" colspan="1">0.0000</td>
<td rowspan="1" colspan="1">0.087*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C58</td>
<td rowspan="1" colspan="1">0.1895 (5)</td>
<td rowspan="1" colspan="1">0.90623 (18)</td>
<td rowspan="1" colspan="1">0.08526 (15)</td>
<td rowspan="1" colspan="1">0.0632 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H58</td>
<td rowspan="1" colspan="1">0.1641</td>
<td rowspan="1" colspan="1">0.9474</td>
<td rowspan="1" colspan="1">0.0744</td>
<td rowspan="1" colspan="1">0.076*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C59</td>
<td rowspan="1" colspan="1">0.1714 (4)</td>
<td rowspan="1" colspan="1">0.89299 (15)</td>
<td rowspan="1" colspan="1">0.14549 (13)</td>
<td rowspan="1" colspan="1">0.0454 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H59</td>
<td rowspan="1" colspan="1">0.1337</td>
<td rowspan="1" colspan="1">0.9252</td>
<td rowspan="1" colspan="1">0.1763</td>
<td rowspan="1" colspan="1">0.055*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C60</td>
<td rowspan="1" colspan="1">0.2566 (3)</td>
<td rowspan="1" colspan="1">0.93847 (10)</td>
<td rowspan="1" colspan="1">0.73884 (10)</td>
<td rowspan="1" colspan="1">0.0240 (4)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C61</td>
<td rowspan="1" colspan="1">0.1139 (3)</td>
<td rowspan="1" colspan="1">0.96266 (11)</td>
<td rowspan="1" colspan="1">0.71824 (11)</td>
<td rowspan="1" colspan="1">0.0304 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H61</td>
<td rowspan="1" colspan="1">0.0203</td>
<td rowspan="1" colspan="1">0.9314</td>
<td rowspan="1" colspan="1">0.6890</td>
<td rowspan="1" colspan="1">0.036*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C62</td>
<td rowspan="1" colspan="1">0.1066 (3)</td>
<td rowspan="1" colspan="1">1.03198 (12)</td>
<td rowspan="1" colspan="1">0.73989 (12)</td>
<td rowspan="1" colspan="1">0.0328 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H62</td>
<td rowspan="1" colspan="1">0.0096</td>
<td rowspan="1" colspan="1">1.0484</td>
<td rowspan="1" colspan="1">0.7251</td>
<td rowspan="1" colspan="1">0.039*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C63</td>
<td rowspan="1" colspan="1">0.2414 (3)</td>
<td rowspan="1" colspan="1">1.07619 (11)</td>
<td rowspan="1" colspan="1">0.78290 (12)</td>
<td rowspan="1" colspan="1">0.0325 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C64</td>
<td rowspan="1" colspan="1">0.3835 (3)</td>
<td rowspan="1" colspan="1">1.05388 (12)</td>
<td rowspan="1" colspan="1">0.80529 (13)</td>
<td rowspan="1" colspan="1">0.0392 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H64</td>
<td rowspan="1" colspan="1">0.4751</td>
<td rowspan="1" colspan="1">1.0853</td>
<td rowspan="1" colspan="1">0.8357</td>
<td rowspan="1" colspan="1">0.047*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C65</td>
<td rowspan="1" colspan="1">0.3910 (3)</td>
<td rowspan="1" colspan="1">0.98463 (12)</td>
<td rowspan="1" colspan="1">0.78275 (12)</td>
<td rowspan="1" colspan="1">0.0346 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H65</td>
<td rowspan="1" colspan="1">0.4890</td>
<td rowspan="1" colspan="1">0.9688</td>
<td rowspan="1" colspan="1">0.7975</td>
<td rowspan="1" colspan="1">0.042*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C66</td>
<td rowspan="1" colspan="1">0.3034 (3)</td>
<td rowspan="1" colspan="1">1.19226 (12)</td>
<td rowspan="1" colspan="1">0.77925 (13)</td>
<td rowspan="1" colspan="1">0.0366 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C67</td>
<td rowspan="1" colspan="1">0.2864 (3)</td>
<td rowspan="1" colspan="1">1.26376 (11)</td>
<td rowspan="1" colspan="1">0.80969 (12)</td>
<td rowspan="1" colspan="1">0.0314 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C68</td>
<td rowspan="1" colspan="1">0.3596 (3)</td>
<td rowspan="1" colspan="1">1.31723 (13)</td>
<td rowspan="1" colspan="1">0.78607 (14)</td>
<td rowspan="1" colspan="1">0.0403 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H68</td>
<td rowspan="1" colspan="1">0.4184</td>
<td rowspan="1" colspan="1">1.3074</td>
<td rowspan="1" colspan="1">0.7520</td>
<td rowspan="1" colspan="1">0.048*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C69</td>
<td rowspan="1" colspan="1">0.3464 (3)</td>
<td rowspan="1" colspan="1">1.38420 (13)</td>
<td rowspan="1" colspan="1">0.81222 (14)</td>
<td rowspan="1" colspan="1">0.0429 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H69</td>
<td rowspan="1" colspan="1">0.3953</td>
<td rowspan="1" colspan="1">1.4205</td>
<td rowspan="1" colspan="1">0.7957</td>
<td rowspan="1" colspan="1">0.051*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C70</td>
<td rowspan="1" colspan="1">0.2631 (4)</td>
<td rowspan="1" colspan="1">1.39908 (12)</td>
<td rowspan="1" colspan="1">0.86208 (13)</td>
<td rowspan="1" colspan="1">0.0431 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H70</td>
<td rowspan="1" colspan="1">0.2565</td>
<td rowspan="1" colspan="1">1.4456</td>
<td rowspan="1" colspan="1">0.8804</td>
<td rowspan="1" colspan="1">0.052*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C71</td>
<td rowspan="1" colspan="1">0.1888 (4)</td>
<td rowspan="1" colspan="1">1.34650 (13)</td>
<td rowspan="1" colspan="1">0.88561 (13)</td>
<td rowspan="1" colspan="1">0.0436 (6)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H71</td>
<td rowspan="1" colspan="1">0.1299</td>
<td rowspan="1" colspan="1">1.3568</td>
<td rowspan="1" colspan="1">0.9196</td>
<td rowspan="1" colspan="1">0.052*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C72</td>
<td rowspan="1" colspan="1">0.2004 (3)</td>
<td rowspan="1" colspan="1">1.27843 (12)</td>
<td rowspan="1" colspan="1">0.85936 (12)</td>
<td rowspan="1" colspan="1">0.0340 (5)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H72</td>
<td rowspan="1" colspan="1">0.1496</td>
<td rowspan="1" colspan="1">1.2422</td>
<td rowspan="1" colspan="1">0.8754</td>
<td rowspan="1" colspan="1">0.041*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C73</td>
<td rowspan="1" colspan="1">0.6390 (3)</td>
<td rowspan="1" colspan="1">0.64968 (16)</td>
<td rowspan="1" colspan="1">0.65693 (17)</td>
<td rowspan="1" colspan="1">0.0507 (7)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H73A</td>
<td rowspan="1" colspan="1">0.6017</td>
<td rowspan="1" colspan="1">0.6325</td>
<td rowspan="1" colspan="1">0.6077</td>
<td rowspan="1" colspan="1">0.061*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H73B</td>
<td rowspan="1" colspan="1">0.5919</td>
<td rowspan="1" colspan="1">0.6136</td>
<td rowspan="1" colspan="1">0.6771</td>
<td rowspan="1" colspan="1">0.061*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C74</td>
<td rowspan="1" colspan="1">0.8263 (3)</td>
<td rowspan="1" colspan="1">0.6608 (2)</td>
<td rowspan="1" colspan="1">0.67635 (19)</td>
<td rowspan="1" colspan="1">0.0639 (9)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H74A</td>
<td rowspan="1" colspan="1">0.8623</td>
<td rowspan="1" colspan="1">0.6166</td>
<td rowspan="1" colspan="1">0.6620</td>
<td rowspan="1" colspan="1">0.077*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H74B</td>
<td rowspan="1" colspan="1">0.8749</td>
<td rowspan="1" colspan="1">0.6943</td>
<td rowspan="1" colspan="1">0.6537</td>
<td rowspan="1" colspan="1">0.077*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C75</td>
<td rowspan="1" colspan="1">0.8406 (4)</td>
<td rowspan="1" colspan="1">0.7520 (3)</td>
<td rowspan="1" colspan="1">0.7659 (2)</td>
<td rowspan="1" colspan="1">0.0875 (13)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H75A</td>
<td rowspan="1" colspan="1">0.8896</td>
<td rowspan="1" colspan="1">0.7837</td>
<td rowspan="1" colspan="1">0.7417</td>
<td rowspan="1" colspan="1">0.105*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H75B</td>
<td rowspan="1" colspan="1">0.8865</td>
<td rowspan="1" colspan="1">0.7714</td>
<td rowspan="1" colspan="1">0.8145</td>
<td rowspan="1" colspan="1">0.105*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C76</td>
<td rowspan="1" colspan="1">0.6495 (4)</td>
<td rowspan="1" colspan="1">0.7452 (2)</td>
<td rowspan="1" colspan="1">0.74997 (16)</td>
<td rowspan="1" colspan="1">0.0702 (10)</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H76A</td>
<td rowspan="1" colspan="1">0.6023</td>
<td rowspan="1" colspan="1">0.7170</td>
<td rowspan="1" colspan="1">0.7775</td>
<td rowspan="1" colspan="1">0.084*</td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">H76B</td>
<td rowspan="1" colspan="1">0.6222</td>
<td rowspan="1" colspan="1">0.7917</td>
<td rowspan="1" colspan="1">0.7620</td>
<td rowspan="1" colspan="1">0.084*</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="d1e2254"><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">Zn</td>
<td rowspan="1" colspan="1">0.02219 (12)</td>
<td rowspan="1" colspan="1">0.01640 (12)</td>
<td rowspan="1" colspan="1">0.01721 (12)</td>
<td rowspan="1" colspan="1">0.00479 (8)</td>
<td rowspan="1" colspan="1">0.00457 (8)</td>
<td rowspan="1" colspan="1">0.00655 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1</td>
<td rowspan="1" colspan="1">0.0273 (9)</td>
<td rowspan="1" colspan="1">0.0183 (8)</td>
<td rowspan="1" colspan="1">0.0195 (8)</td>
<td rowspan="1" colspan="1">0.0045 (7)</td>
<td rowspan="1" colspan="1">0.0062 (7)</td>
<td rowspan="1" colspan="1">0.0074 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2</td>
<td rowspan="1" colspan="1">0.0251 (8)</td>
<td rowspan="1" colspan="1">0.0202 (8)</td>
<td rowspan="1" colspan="1">0.0187 (8)</td>
<td rowspan="1" colspan="1">0.0057 (7)</td>
<td rowspan="1" colspan="1">0.0077 (6)</td>
<td rowspan="1" colspan="1">0.0064 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3</td>
<td rowspan="1" colspan="1">0.0253 (8)</td>
<td rowspan="1" colspan="1">0.0167 (8)</td>
<td rowspan="1" colspan="1">0.0193 (8)</td>
<td rowspan="1" colspan="1">0.0053 (6)</td>
<td rowspan="1" colspan="1">0.0061 (6)</td>
<td rowspan="1" colspan="1">0.0075 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4</td>
<td rowspan="1" colspan="1">0.0246 (8)</td>
<td rowspan="1" colspan="1">0.0162 (8)</td>
<td rowspan="1" colspan="1">0.0180 (8)</td>
<td rowspan="1" colspan="1">0.0049 (6)</td>
<td rowspan="1" colspan="1">0.0038 (6)</td>
<td rowspan="1" colspan="1">0.0058 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">N5</td>
<td rowspan="1" colspan="1">0.0250 (9)</td>
<td rowspan="1" colspan="1">0.0386 (11)</td>
<td rowspan="1" colspan="1">0.0312 (10)</td>
<td rowspan="1" colspan="1">0.0037 (8)</td>
<td rowspan="1" colspan="1">0.0063 (7)</td>
<td rowspan="1" colspan="1">0.0200 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N6</td>
<td rowspan="1" colspan="1">0.0299 (14)</td>
<td rowspan="1" colspan="1">0.187 (4)</td>
<td rowspan="1" colspan="1">0.087 (2)</td>
<td rowspan="1" colspan="1">0.0221 (19)</td>
<td rowspan="1" colspan="1">0.0123 (14)</td>
<td rowspan="1" colspan="1">0.087 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1</td>
<td rowspan="1" colspan="1">0.0634 (11)</td>
<td rowspan="1" colspan="1">0.0264 (8)</td>
<td rowspan="1" colspan="1">0.0203 (7)</td>
<td rowspan="1" colspan="1">0.0121 (7)</td>
<td rowspan="1" colspan="1">0.0129 (7)</td>
<td rowspan="1" colspan="1">0.0126 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2</td>
<td rowspan="1" colspan="1">0.125 (2)</td>
<td rowspan="1" colspan="1">0.0288 (9)</td>
<td rowspan="1" colspan="1">0.0314 (10)</td>
<td rowspan="1" colspan="1">0.0182 (11)</td>
<td rowspan="1" colspan="1">0.0311 (11)</td>
<td rowspan="1" colspan="1">0.0086 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">O3</td>
<td rowspan="1" colspan="1">0.0429 (9)</td>
<td rowspan="1" colspan="1">0.0174 (7)</td>
<td rowspan="1" colspan="1">0.0303 (8)</td>
<td rowspan="1" colspan="1">0.0061 (6)</td>
<td rowspan="1" colspan="1">0.0134 (7)</td>
<td rowspan="1" colspan="1">0.0073 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">O4</td>
<td rowspan="1" colspan="1">0.142 (2)</td>
<td rowspan="1" colspan="1">0.0429 (12)</td>
<td rowspan="1" colspan="1">0.0652 (14)</td>
<td rowspan="1" colspan="1">0.0478 (13)</td>
<td rowspan="1" colspan="1">0.0744 (15)</td>
<td rowspan="1" colspan="1">0.0320 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">O5</td>
<td rowspan="1" colspan="1">0.0431 (9)</td>
<td rowspan="1" colspan="1">0.0264 (8)</td>
<td rowspan="1" colspan="1">0.0173 (7)</td>
<td rowspan="1" colspan="1">0.0075 (6)</td>
<td rowspan="1" colspan="1">0.0096 (6)</td>
<td rowspan="1" colspan="1">0.0076 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6</td>
<td rowspan="1" colspan="1">0.0925 (15)</td>
<td rowspan="1" colspan="1">0.0484 (11)</td>
<td rowspan="1" colspan="1">0.0311 (9)</td>
<td rowspan="1" colspan="1">0.0468 (11)</td>
<td rowspan="1" colspan="1">0.0282 (10)</td>
<td rowspan="1" colspan="1">0.0194 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">O7</td>
<td rowspan="1" colspan="1">0.0599 (11)</td>
<td rowspan="1" colspan="1">0.0186 (8)</td>
<td rowspan="1" colspan="1">0.0464 (10)</td>
<td rowspan="1" colspan="1">0.0098 (7)</td>
<td rowspan="1" colspan="1">0.0293 (9)</td>
<td rowspan="1" colspan="1">0.0085 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">O8</td>
<td rowspan="1" colspan="1">0.113 (2)</td>
<td rowspan="1" colspan="1">0.0356 (11)</td>
<td rowspan="1" colspan="1">0.1010 (18)</td>
<td rowspan="1" colspan="1">0.0283 (12)</td>
<td rowspan="1" colspan="1">0.0867 (17)</td>
<td rowspan="1" colspan="1">0.0282 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1</td>
<td rowspan="1" colspan="1">0.0288 (10)</td>
<td rowspan="1" colspan="1">0.0186 (9)</td>
<td rowspan="1" colspan="1">0.0211 (10)</td>
<td rowspan="1" colspan="1">0.0043 (8)</td>
<td rowspan="1" colspan="1">0.0053 (8)</td>
<td rowspan="1" colspan="1">0.0043 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2</td>
<td rowspan="1" colspan="1">0.0510 (14)</td>
<td rowspan="1" colspan="1">0.0212 (10)</td>
<td rowspan="1" colspan="1">0.0223 (10)</td>
<td rowspan="1" colspan="1">0.0068 (9)</td>
<td rowspan="1" colspan="1">0.0089 (10)</td>
<td rowspan="1" colspan="1">0.0024 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C3</td>
<td rowspan="1" colspan="1">0.0491 (14)</td>
<td rowspan="1" colspan="1">0.0250 (11)</td>
<td rowspan="1" colspan="1">0.0189 (10)</td>
<td rowspan="1" colspan="1">0.0076 (10)</td>
<td rowspan="1" colspan="1">0.0083 (9)</td>
<td rowspan="1" colspan="1">0.0057 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4</td>
<td rowspan="1" colspan="1">0.0273 (10)</td>
<td rowspan="1" colspan="1">0.0229 (10)</td>
<td rowspan="1" colspan="1">0.0191 (9)</td>
<td rowspan="1" colspan="1">0.0049 (8)</td>
<td rowspan="1" colspan="1">0.0055 (8)</td>
<td rowspan="1" colspan="1">0.0072 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5</td>
<td rowspan="1" colspan="1">0.0225 (10)</td>
<td rowspan="1" colspan="1">0.0251 (10)</td>
<td rowspan="1" colspan="1">0.0197 (9)</td>
<td rowspan="1" colspan="1">0.0063 (8)</td>
<td rowspan="1" colspan="1">0.0059 (7)</td>
<td rowspan="1" colspan="1">0.0095 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6</td>
<td rowspan="1" colspan="1">0.0217 (9)</td>
<td rowspan="1" colspan="1">0.0223 (10)</td>
<td rowspan="1" colspan="1">0.0211 (9)</td>
<td rowspan="1" colspan="1">0.0060 (8)</td>
<td rowspan="1" colspan="1">0.0073 (7)</td>
<td rowspan="1" colspan="1">0.0101 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7</td>
<td rowspan="1" colspan="1">0.0351 (11)</td>
<td rowspan="1" colspan="1">0.0218 (10)</td>
<td rowspan="1" colspan="1">0.0255 (10)</td>
<td rowspan="1" colspan="1">0.0060 (8)</td>
<td rowspan="1" colspan="1">0.0121 (9)</td>
<td rowspan="1" colspan="1">0.0121 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C8</td>
<td rowspan="1" colspan="1">0.0345 (11)</td>
<td rowspan="1" colspan="1">0.0188 (10)</td>
<td rowspan="1" colspan="1">0.0285 (10)</td>
<td rowspan="1" colspan="1">0.0054 (8)</td>
<td rowspan="1" colspan="1">0.0102 (9)</td>
<td rowspan="1" colspan="1">0.0100 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C9</td>
<td rowspan="1" colspan="1">0.0243 (10)</td>
<td rowspan="1" colspan="1">0.0168 (9)</td>
<td rowspan="1" colspan="1">0.0238 (10)</td>
<td rowspan="1" colspan="1">0.0057 (7)</td>
<td rowspan="1" colspan="1">0.0074 (8)</td>
<td rowspan="1" colspan="1">0.0075 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C10</td>
<td rowspan="1" colspan="1">0.0225 (9)</td>
<td rowspan="1" colspan="1">0.0182 (9)</td>
<td rowspan="1" colspan="1">0.0246 (10)</td>
<td rowspan="1" colspan="1">0.0059 (7)</td>
<td rowspan="1" colspan="1">0.0072 (8)</td>
<td rowspan="1" colspan="1">0.0066 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11</td>
<td rowspan="1" colspan="1">0.0232 (9)</td>
<td rowspan="1" colspan="1">0.0190 (9)</td>
<td rowspan="1" colspan="1">0.0212 (9)</td>
<td rowspan="1" colspan="1">0.0063 (7)</td>
<td rowspan="1" colspan="1">0.0072 (7)</td>
<td rowspan="1" colspan="1">0.0053 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C12</td>
<td rowspan="1" colspan="1">0.0340 (11)</td>
<td rowspan="1" colspan="1">0.0194 (10)</td>
<td rowspan="1" colspan="1">0.0260 (10)</td>
<td rowspan="1" colspan="1">0.0079 (8)</td>
<td rowspan="1" colspan="1">0.0140 (9)</td>
<td rowspan="1" colspan="1">0.0054 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13</td>
<td rowspan="1" colspan="1">0.0346 (11)</td>
<td rowspan="1" colspan="1">0.0228 (10)</td>
<td rowspan="1" colspan="1">0.0223 (10)</td>
<td rowspan="1" colspan="1">0.0074 (8)</td>
<td rowspan="1" colspan="1">0.0144 (8)</td>
<td rowspan="1" colspan="1">0.0070 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14</td>
<td rowspan="1" colspan="1">0.0226 (9)</td>
<td rowspan="1" colspan="1">0.0211 (10)</td>
<td rowspan="1" colspan="1">0.0187 (9)</td>
<td rowspan="1" colspan="1">0.0041 (7)</td>
<td rowspan="1" colspan="1">0.0068 (7)</td>
<td rowspan="1" colspan="1">0.0059 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15</td>
<td rowspan="1" colspan="1">0.0211 (9)</td>
<td rowspan="1" colspan="1">0.0213 (10)</td>
<td rowspan="1" colspan="1">0.0185 (9)</td>
<td rowspan="1" colspan="1">0.0029 (7)</td>
<td rowspan="1" colspan="1">0.0054 (7)</td>
<td rowspan="1" colspan="1">0.0083 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16</td>
<td rowspan="1" colspan="1">0.0224 (9)</td>
<td rowspan="1" colspan="1">0.0197 (9)</td>
<td rowspan="1" colspan="1">0.0197 (9)</td>
<td rowspan="1" colspan="1">0.0049 (7)</td>
<td rowspan="1" colspan="1">0.0041 (7)</td>
<td rowspan="1" colspan="1">0.0087 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17</td>
<td rowspan="1" colspan="1">0.0382 (12)</td>
<td rowspan="1" colspan="1">0.0229 (10)</td>
<td rowspan="1" colspan="1">0.0225 (10)</td>
<td rowspan="1" colspan="1">0.0105 (9)</td>
<td rowspan="1" colspan="1">0.0069 (9)</td>
<td rowspan="1" colspan="1">0.0108 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18</td>
<td rowspan="1" colspan="1">0.0445 (13)</td>
<td rowspan="1" colspan="1">0.0191 (10)</td>
<td rowspan="1" colspan="1">0.0264 (10)</td>
<td rowspan="1" colspan="1">0.0118 (9)</td>
<td rowspan="1" colspan="1">0.0083 (9)</td>
<td rowspan="1" colspan="1">0.0094 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19</td>
<td rowspan="1" colspan="1">0.0276 (10)</td>
<td rowspan="1" colspan="1">0.0169 (9)</td>
<td rowspan="1" colspan="1">0.0213 (10)</td>
<td rowspan="1" colspan="1">0.0052 (8)</td>
<td rowspan="1" colspan="1">0.0040 (8)</td>
<td rowspan="1" colspan="1">0.0051 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C20</td>
<td rowspan="1" colspan="1">0.0281 (10)</td>
<td rowspan="1" colspan="1">0.0183 (10)</td>
<td rowspan="1" colspan="1">0.0226 (10)</td>
<td rowspan="1" colspan="1">0.0047 (8)</td>
<td rowspan="1" colspan="1">0.0038 (8)</td>
<td rowspan="1" colspan="1">0.0041 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21</td>
<td rowspan="1" colspan="1">0.0310 (11)</td>
<td rowspan="1" colspan="1">0.0197 (9)</td>
<td rowspan="1" colspan="1">0.0192 (9)</td>
<td rowspan="1" colspan="1">0.0056 (8)</td>
<td rowspan="1" colspan="1">0.0071 (8)</td>
<td rowspan="1" colspan="1">0.0077 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C22</td>
<td rowspan="1" colspan="1">0.0295 (12)</td>
<td rowspan="1" colspan="1">0.0573 (16)</td>
<td rowspan="1" colspan="1">0.0253 (11)</td>
<td rowspan="1" colspan="1">0.0065 (11)</td>
<td rowspan="1" colspan="1">0.0043 (9)</td>
<td rowspan="1" colspan="1">0.0192 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23</td>
<td rowspan="1" colspan="1">0.0377 (13)</td>
<td rowspan="1" colspan="1">0.0534 (15)</td>
<td rowspan="1" colspan="1">0.0268 (11)</td>
<td rowspan="1" colspan="1">0.0044 (11)</td>
<td rowspan="1" colspan="1">0.0127 (10)</td>
<td rowspan="1" colspan="1">0.0175 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24</td>
<td rowspan="1" colspan="1">0.0492 (13)</td>
<td rowspan="1" colspan="1">0.0226 (10)</td>
<td rowspan="1" colspan="1">0.0176 (9)</td>
<td rowspan="1" colspan="1">0.0068 (9)</td>
<td rowspan="1" colspan="1">0.0086 (9)</td>
<td rowspan="1" colspan="1">0.0094 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25</td>
<td rowspan="1" colspan="1">0.0402 (14)</td>
<td rowspan="1" colspan="1">0.0713 (19)</td>
<td rowspan="1" colspan="1">0.0387 (14)</td>
<td rowspan="1" colspan="1">0.0205 (13)</td>
<td rowspan="1" colspan="1">0.0070 (11)</td>
<td rowspan="1" colspan="1">0.0348 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C26</td>
<td rowspan="1" colspan="1">0.0321 (12)</td>
<td rowspan="1" colspan="1">0.0675 (18)</td>
<td rowspan="1" colspan="1">0.0386 (13)</td>
<td rowspan="1" colspan="1">0.0183 (12)</td>
<td rowspan="1" colspan="1">0.0133 (10)</td>
<td rowspan="1" colspan="1">0.0309 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27</td>
<td rowspan="1" colspan="1">0.0529 (15)</td>
<td rowspan="1" colspan="1">0.0245 (11)</td>
<td rowspan="1" colspan="1">0.0262 (11)</td>
<td rowspan="1" colspan="1">0.0075 (10)</td>
<td rowspan="1" colspan="1">0.0133 (10)</td>
<td rowspan="1" colspan="1">0.0101 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28</td>
<td rowspan="1" colspan="1">0.0342 (11)</td>
<td rowspan="1" colspan="1">0.0259 (11)</td>
<td rowspan="1" colspan="1">0.0246 (10)</td>
<td rowspan="1" colspan="1">0.0052 (9)</td>
<td rowspan="1" colspan="1">0.0068 (9)</td>
<td rowspan="1" colspan="1">0.0119 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29</td>
<td rowspan="1" colspan="1">0.0499 (14)</td>
<td rowspan="1" colspan="1">0.0353 (13)</td>
<td rowspan="1" colspan="1">0.0296 (12)</td>
<td rowspan="1" colspan="1">0.0208 (11)</td>
<td rowspan="1" colspan="1">0.0127 (10)</td>
<td rowspan="1" colspan="1">0.0161 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C30</td>
<td rowspan="1" colspan="1">0.0678 (18)</td>
<td rowspan="1" colspan="1">0.0473 (15)</td>
<td rowspan="1" colspan="1">0.0268 (12)</td>
<td rowspan="1" colspan="1">0.0234 (13)</td>
<td rowspan="1" colspan="1">0.0192 (12)</td>
<td rowspan="1" colspan="1">0.0152 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C31</td>
<td rowspan="1" colspan="1">0.0515 (15)</td>
<td rowspan="1" colspan="1">0.0436 (14)</td>
<td rowspan="1" colspan="1">0.0281 (12)</td>
<td rowspan="1" colspan="1">0.0071 (12)</td>
<td rowspan="1" colspan="1">0.0042 (11)</td>
<td rowspan="1" colspan="1">0.0201 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C32</td>
<td rowspan="1" colspan="1">0.0670 (18)</td>
<td rowspan="1" colspan="1">0.0365 (14)</td>
<td rowspan="1" colspan="1">0.0441 (15)</td>
<td rowspan="1" colspan="1">0.0163 (13)</td>
<td rowspan="1" colspan="1">0.0062 (13)</td>
<td rowspan="1" colspan="1">0.0233 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C33</td>
<td rowspan="1" colspan="1">0.0658 (17)</td>
<td rowspan="1" colspan="1">0.0263 (12)</td>
<td rowspan="1" colspan="1">0.0359 (13)</td>
<td rowspan="1" colspan="1">0.0152 (11)</td>
<td rowspan="1" colspan="1">0.0149 (12)</td>
<td rowspan="1" colspan="1">0.0120 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C34</td>
<td rowspan="1" colspan="1">0.0247 (10)</td>
<td rowspan="1" colspan="1">0.0187 (9)</td>
<td rowspan="1" colspan="1">0.0236 (10)</td>
<td rowspan="1" colspan="1">0.0052 (8)</td>
<td rowspan="1" colspan="1">0.0101 (8)</td>
<td rowspan="1" colspan="1">0.0071 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C35</td>
<td rowspan="1" colspan="1">0.0269 (10)</td>
<td rowspan="1" colspan="1">0.0236 (10)</td>
<td rowspan="1" colspan="1">0.0254 (10)</td>
<td rowspan="1" colspan="1">0.0067 (8)</td>
<td rowspan="1" colspan="1">0.0031 (8)</td>
<td rowspan="1" colspan="1">0.0036 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C36</td>
<td rowspan="1" colspan="1">0.0306 (11)</td>
<td rowspan="1" colspan="1">0.0242 (10)</td>
<td rowspan="1" colspan="1">0.0280 (10)</td>
<td rowspan="1" colspan="1">0.0109 (8)</td>
<td rowspan="1" colspan="1">0.0056 (9)</td>
<td rowspan="1" colspan="1">0.0079 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C37</td>
<td rowspan="1" colspan="1">0.0291 (10)</td>
<td rowspan="1" colspan="1">0.0170 (9)</td>
<td rowspan="1" colspan="1">0.0276 (10)</td>
<td rowspan="1" colspan="1">0.0055 (8)</td>
<td rowspan="1" colspan="1">0.0127 (8)</td>
<td rowspan="1" colspan="1">0.0065 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C38</td>
<td rowspan="1" colspan="1">0.0244 (10)</td>
<td rowspan="1" colspan="1">0.0219 (10)</td>
<td rowspan="1" colspan="1">0.0210 (9)</td>
<td rowspan="1" colspan="1">0.0004 (8)</td>
<td rowspan="1" colspan="1">0.0063 (8)</td>
<td rowspan="1" colspan="1">0.0039 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C39</td>
<td rowspan="1" colspan="1">0.0239 (10)</td>
<td rowspan="1" colspan="1">0.0240 (10)</td>
<td rowspan="1" colspan="1">0.0235 (10)</td>
<td rowspan="1" colspan="1">0.0073 (8)</td>
<td rowspan="1" colspan="1">0.0083 (8)</td>
<td rowspan="1" colspan="1">0.0107 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C40</td>
<td rowspan="1" colspan="1">0.0320 (11)</td>
<td rowspan="1" colspan="1">0.0251 (11)</td>
<td rowspan="1" colspan="1">0.0283 (11)</td>
<td rowspan="1" colspan="1">0.0075 (9)</td>
<td rowspan="1" colspan="1">0.0081 (9)</td>
<td rowspan="1" colspan="1">0.0069 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C41</td>
<td rowspan="1" colspan="1">0.0325 (12)</td>
<td rowspan="1" colspan="1">0.0216 (11)</td>
<td rowspan="1" colspan="1">0.0393 (13)</td>
<td rowspan="1" colspan="1">0.0048 (9)</td>
<td rowspan="1" colspan="1">0.0024 (10)</td>
<td rowspan="1" colspan="1">0.0031 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C42</td>
<td rowspan="1" colspan="1">0.129 (3)</td>
<td rowspan="1" colspan="1">0.0330 (16)</td>
<td rowspan="1" colspan="1">0.085 (2)</td>
<td rowspan="1" colspan="1">0.0285 (18)</td>
<td rowspan="1" colspan="1">0.066 (2)</td>
<td rowspan="1" colspan="1">0.0252 (16)</td>
</tr>
<tr><td rowspan="1" colspan="1">C43</td>
<td rowspan="1" colspan="1">0.251 (7)</td>
<td rowspan="1" colspan="1">0.038 (2)</td>
<td rowspan="1" colspan="1">0.126 (4)</td>
<td rowspan="1" colspan="1">0.044 (3)</td>
<td rowspan="1" colspan="1">0.118 (5)</td>
<td rowspan="1" colspan="1">0.041 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C44</td>
<td rowspan="1" colspan="1">0.158 (4)</td>
<td rowspan="1" colspan="1">0.0319 (17)</td>
<td rowspan="1" colspan="1">0.100 (3)</td>
<td rowspan="1" colspan="1">0.036 (2)</td>
<td rowspan="1" colspan="1">0.057 (3)</td>
<td rowspan="1" colspan="1">0.0154 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C45</td>
<td rowspan="1" colspan="1">0.072 (2)</td>
<td rowspan="1" colspan="1">0.0359 (15)</td>
<td rowspan="1" colspan="1">0.064 (2)</td>
<td rowspan="1" colspan="1">0.0163 (14)</td>
<td rowspan="1" colspan="1">0.0177 (16)</td>
<td rowspan="1" colspan="1">−0.0066 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C46</td>
<td rowspan="1" colspan="1">0.0512 (16)</td>
<td rowspan="1" colspan="1">0.0350 (14)</td>
<td rowspan="1" colspan="1">0.0434 (14)</td>
<td rowspan="1" colspan="1">0.0151 (12)</td>
<td rowspan="1" colspan="1">0.0075 (12)</td>
<td rowspan="1" colspan="1">−0.0003 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C47</td>
<td rowspan="1" colspan="1">0.0261 (10)</td>
<td rowspan="1" colspan="1">0.0186 (9)</td>
<td rowspan="1" colspan="1">0.0191 (9)</td>
<td rowspan="1" colspan="1">0.0074 (8)</td>
<td rowspan="1" colspan="1">0.0081 (8)</td>
<td rowspan="1" colspan="1">0.0071 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C48</td>
<td rowspan="1" colspan="1">0.0286 (11)</td>
<td rowspan="1" colspan="1">0.0256 (10)</td>
<td rowspan="1" colspan="1">0.0222 (10)</td>
<td rowspan="1" colspan="1">−0.0006 (8)</td>
<td rowspan="1" colspan="1">0.0085 (8)</td>
<td rowspan="1" colspan="1">0.0059 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C49</td>
<td rowspan="1" colspan="1">0.0318 (11)</td>
<td rowspan="1" colspan="1">0.0292 (11)</td>
<td rowspan="1" colspan="1">0.0191 (10)</td>
<td rowspan="1" colspan="1">0.0023 (9)</td>
<td rowspan="1" colspan="1">0.0036 (8)</td>
<td rowspan="1" colspan="1">0.0037 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C50</td>
<td rowspan="1" colspan="1">0.0359 (11)</td>
<td rowspan="1" colspan="1">0.0218 (10)</td>
<td rowspan="1" colspan="1">0.0168 (9)</td>
<td rowspan="1" colspan="1">0.0116 (8)</td>
<td rowspan="1" colspan="1">0.0101 (8)</td>
<td rowspan="1" colspan="1">0.0073 (7)</td>
</tr>
<tr><td rowspan="1" colspan="1">C51</td>
<td rowspan="1" colspan="1">0.0273 (10)</td>
<td rowspan="1" colspan="1">0.0277 (11)</td>
<td rowspan="1" colspan="1">0.0264 (10)</td>
<td rowspan="1" colspan="1">0.0052 (8)</td>
<td rowspan="1" colspan="1">0.0101 (8)</td>
<td rowspan="1" colspan="1">0.0133 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C52</td>
<td rowspan="1" colspan="1">0.0240 (10)</td>
<td rowspan="1" colspan="1">0.0256 (10)</td>
<td rowspan="1" colspan="1">0.0228 (10)</td>
<td rowspan="1" colspan="1">0.0041 (8)</td>
<td rowspan="1" colspan="1">0.0035 (8)</td>
<td rowspan="1" colspan="1">0.0093 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C53</td>
<td rowspan="1" colspan="1">0.0361 (12)</td>
<td rowspan="1" colspan="1">0.0341 (12)</td>
<td rowspan="1" colspan="1">0.0223 (10)</td>
<td rowspan="1" colspan="1">0.0142 (9)</td>
<td rowspan="1" colspan="1">0.0092 (9)</td>
<td rowspan="1" colspan="1">0.0121 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C54</td>
<td rowspan="1" colspan="1">0.0364 (12)</td>
<td rowspan="1" colspan="1">0.0334 (12)</td>
<td rowspan="1" colspan="1">0.0218 (10)</td>
<td rowspan="1" colspan="1">0.0030 (9)</td>
<td rowspan="1" colspan="1">0.0067 (9)</td>
<td rowspan="1" colspan="1">0.0098 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C55</td>
<td rowspan="1" colspan="1">0.0736 (19)</td>
<td rowspan="1" colspan="1">0.0261 (12)</td>
<td rowspan="1" colspan="1">0.0275 (12)</td>
<td rowspan="1" colspan="1">−0.0007 (12)</td>
<td rowspan="1" colspan="1">0.0199 (12)</td>
<td rowspan="1" colspan="1">0.0037 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C56</td>
<td rowspan="1" colspan="1">0.131 (3)</td>
<td rowspan="1" colspan="1">0.0374 (16)</td>
<td rowspan="1" colspan="1">0.0344 (15)</td>
<td rowspan="1" colspan="1">0.0052 (17)</td>
<td rowspan="1" colspan="1">0.0406 (18)</td>
<td rowspan="1" colspan="1">0.0028 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C57</td>
<td rowspan="1" colspan="1">0.140 (4)</td>
<td rowspan="1" colspan="1">0.0543 (19)</td>
<td rowspan="1" colspan="1">0.0299 (14)</td>
<td rowspan="1" colspan="1">0.011 (2)</td>
<td rowspan="1" colspan="1">0.0318 (18)</td>
<td rowspan="1" colspan="1">0.0190 (13)</td>
</tr>
<tr><td rowspan="1" colspan="1">C58</td>
<td rowspan="1" colspan="1">0.109 (3)</td>
<td rowspan="1" colspan="1">0.0567 (19)</td>
<td rowspan="1" colspan="1">0.0386 (15)</td>
<td rowspan="1" colspan="1">0.0280 (19)</td>
<td rowspan="1" colspan="1">0.0227 (17)</td>
<td rowspan="1" colspan="1">0.0297 (14)</td>
</tr>
<tr><td rowspan="1" colspan="1">C59</td>
<td rowspan="1" colspan="1">0.0637 (18)</td>
<td rowspan="1" colspan="1">0.0512 (16)</td>
<td rowspan="1" colspan="1">0.0337 (13)</td>
<td rowspan="1" colspan="1">0.0245 (14)</td>
<td rowspan="1" colspan="1">0.0170 (12)</td>
<td rowspan="1" colspan="1">0.0224 (12)</td>
</tr>
<tr><td rowspan="1" colspan="1">C60</td>
<td rowspan="1" colspan="1">0.0345 (11)</td>
<td rowspan="1" colspan="1">0.0174 (10)</td>
<td rowspan="1" colspan="1">0.0214 (10)</td>
<td rowspan="1" colspan="1">0.0063 (8)</td>
<td rowspan="1" colspan="1">0.0070 (8)</td>
<td rowspan="1" colspan="1">0.0058 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C61</td>
<td rowspan="1" colspan="1">0.0378 (12)</td>
<td rowspan="1" colspan="1">0.0231 (11)</td>
<td rowspan="1" colspan="1">0.0277 (11)</td>
<td rowspan="1" colspan="1">0.0079 (9)</td>
<td rowspan="1" colspan="1">0.0047 (9)</td>
<td rowspan="1" colspan="1">0.0018 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C62</td>
<td rowspan="1" colspan="1">0.0418 (13)</td>
<td rowspan="1" colspan="1">0.0270 (11)</td>
<td rowspan="1" colspan="1">0.0330 (12)</td>
<td rowspan="1" colspan="1">0.0149 (10)</td>
<td rowspan="1" colspan="1">0.0107 (10)</td>
<td rowspan="1" colspan="1">0.0070 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C63</td>
<td rowspan="1" colspan="1">0.0510 (14)</td>
<td rowspan="1" colspan="1">0.0172 (10)</td>
<td rowspan="1" colspan="1">0.0344 (12)</td>
<td rowspan="1" colspan="1">0.0094 (9)</td>
<td rowspan="1" colspan="1">0.0201 (10)</td>
<td rowspan="1" colspan="1">0.0059 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C64</td>
<td rowspan="1" colspan="1">0.0418 (14)</td>
<td rowspan="1" colspan="1">0.0210 (11)</td>
<td rowspan="1" colspan="1">0.0474 (14)</td>
<td rowspan="1" colspan="1">−0.0012 (10)</td>
<td rowspan="1" colspan="1">0.0055 (11)</td>
<td rowspan="1" colspan="1">0.0015 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C65</td>
<td rowspan="1" colspan="1">0.0357 (12)</td>
<td rowspan="1" colspan="1">0.0232 (11)</td>
<td rowspan="1" colspan="1">0.0409 (13)</td>
<td rowspan="1" colspan="1">0.0054 (9)</td>
<td rowspan="1" colspan="1">0.0028 (10)</td>
<td rowspan="1" colspan="1">0.0047 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C66</td>
<td rowspan="1" colspan="1">0.0428 (13)</td>
<td rowspan="1" colspan="1">0.0264 (12)</td>
<td rowspan="1" colspan="1">0.0482 (14)</td>
<td rowspan="1" colspan="1">0.0080 (10)</td>
<td rowspan="1" colspan="1">0.0248 (11)</td>
<td rowspan="1" colspan="1">0.0120 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C67</td>
<td rowspan="1" colspan="1">0.0317 (11)</td>
<td rowspan="1" colspan="1">0.0204 (10)</td>
<td rowspan="1" colspan="1">0.0411 (13)</td>
<td rowspan="1" colspan="1">0.0052 (9)</td>
<td rowspan="1" colspan="1">0.0065 (10)</td>
<td rowspan="1" colspan="1">0.0072 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C68</td>
<td rowspan="1" colspan="1">0.0373 (13)</td>
<td rowspan="1" colspan="1">0.0316 (13)</td>
<td rowspan="1" colspan="1">0.0561 (16)</td>
<td rowspan="1" colspan="1">0.0067 (10)</td>
<td rowspan="1" colspan="1">0.0138 (12)</td>
<td rowspan="1" colspan="1">0.0171 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C69</td>
<td rowspan="1" colspan="1">0.0402 (14)</td>
<td rowspan="1" colspan="1">0.0244 (12)</td>
<td rowspan="1" colspan="1">0.0576 (16)</td>
<td rowspan="1" colspan="1">−0.0008 (10)</td>
<td rowspan="1" colspan="1">−0.0049 (12)</td>
<td rowspan="1" colspan="1">0.0155 (11)</td>
</tr>
<tr><td rowspan="1" colspan="1">C70</td>
<td rowspan="1" colspan="1">0.0583 (16)</td>
<td rowspan="1" colspan="1">0.0189 (11)</td>
<td rowspan="1" colspan="1">0.0414 (14)</td>
<td rowspan="1" colspan="1">0.0103 (11)</td>
<td rowspan="1" colspan="1">−0.0087 (12)</td>
<td rowspan="1" colspan="1">0.0009 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C71</td>
<td rowspan="1" colspan="1">0.0610 (17)</td>
<td rowspan="1" colspan="1">0.0329 (13)</td>
<td rowspan="1" colspan="1">0.0353 (13)</td>
<td rowspan="1" colspan="1">0.0183 (12)</td>
<td rowspan="1" colspan="1">0.0070 (12)</td>
<td rowspan="1" colspan="1">0.0027 (10)</td>
</tr>
<tr><td rowspan="1" colspan="1">C72</td>
<td rowspan="1" colspan="1">0.0428 (13)</td>
<td rowspan="1" colspan="1">0.0235 (11)</td>
<td rowspan="1" colspan="1">0.0340 (12)</td>
<td rowspan="1" colspan="1">0.0046 (9)</td>
<td rowspan="1" colspan="1">0.0066 (10)</td>
<td rowspan="1" colspan="1">0.0065 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C73</td>
<td rowspan="1" colspan="1">0.0308 (13)</td>
<td rowspan="1" colspan="1">0.0567 (17)</td>
<td rowspan="1" colspan="1">0.0788 (19)</td>
<td rowspan="1" colspan="1">0.0193 (12)</td>
<td rowspan="1" colspan="1">0.0164 (13)</td>
<td rowspan="1" colspan="1">0.0365 (15)</td>
</tr>
<tr><td rowspan="1" colspan="1">C74</td>
<td rowspan="1" colspan="1">0.0311 (14)</td>
<td rowspan="1" colspan="1">0.094 (2)</td>
<td rowspan="1" colspan="1">0.089 (2)</td>
<td rowspan="1" colspan="1">0.0219 (14)</td>
<td rowspan="1" colspan="1">0.0167 (14)</td>
<td rowspan="1" colspan="1">0.0610 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C75</td>
<td rowspan="1" colspan="1">0.0387 (17)</td>
<td rowspan="1" colspan="1">0.146 (4)</td>
<td rowspan="1" colspan="1">0.056 (2)</td>
<td rowspan="1" colspan="1">−0.015 (2)</td>
<td rowspan="1" colspan="1">−0.0030 (15)</td>
<td rowspan="1" colspan="1">0.014 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C76</td>
<td rowspan="1" colspan="1">0.0332 (15)</td>
<td rowspan="1" colspan="1">0.114 (3)</td>
<td rowspan="1" colspan="1">0.0484 (17)</td>
<td rowspan="1" colspan="1">−0.0048 (16)</td>
<td rowspan="1" colspan="1">−0.0007 (12)</td>
<td rowspan="1" colspan="1">0.0094 (18)</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title>
<table-wrap position="anchor" id="d1e3695"><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">Zn—N2</td>
<td rowspan="1" colspan="1">2.0697 (16)</td>
<td rowspan="1" colspan="1">C31—H31</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N4</td>
<td rowspan="1" colspan="1">2.0747 (16)</td>
<td rowspan="1" colspan="1">C32—C33</td>
<td rowspan="1" colspan="1">1.377 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N3</td>
<td rowspan="1" colspan="1">2.0836 (16)</td>
<td rowspan="1" colspan="1">C32—H32</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N1</td>
<td rowspan="1" colspan="1">2.0856 (17)</td>
<td rowspan="1" colspan="1">C33—H33</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N5</td>
<td rowspan="1" colspan="1">2.1274 (19)</td>
<td rowspan="1" colspan="1">C34—C39</td>
<td rowspan="1" colspan="1">1.392 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C1</td>
<td rowspan="1" colspan="1">1.367 (3)</td>
<td rowspan="1" colspan="1">C34—C35</td>
<td rowspan="1" colspan="1">1.400 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C4</td>
<td rowspan="1" colspan="1">1.375 (2)</td>
<td rowspan="1" colspan="1">C35—C36</td>
<td rowspan="1" colspan="1">1.386 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C9</td>
<td rowspan="1" colspan="1">1.373 (3)</td>
<td rowspan="1" colspan="1">C35—H35</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C6</td>
<td rowspan="1" colspan="1">1.378 (2)</td>
<td rowspan="1" colspan="1">C36—C37</td>
<td rowspan="1" colspan="1">1.381 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C11</td>
<td rowspan="1" colspan="1">1.374 (2)</td>
<td rowspan="1" colspan="1">C36—H36</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C14</td>
<td rowspan="1" colspan="1">1.376 (2)</td>
<td rowspan="1" colspan="1">C37—C38</td>
<td rowspan="1" colspan="1">1.379 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C19</td>
<td rowspan="1" colspan="1">1.373 (2)</td>
<td rowspan="1" colspan="1">C38—C39</td>
<td rowspan="1" colspan="1">1.388 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C16</td>
<td rowspan="1" colspan="1">1.375 (2)</td>
<td rowspan="1" colspan="1">C38—H38</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">N5—C73</td>
<td rowspan="1" colspan="1">1.472 (4)</td>
<td rowspan="1" colspan="1">C39—H39</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">N5—C76</td>
<td rowspan="1" colspan="1">1.476 (4)</td>
<td rowspan="1" colspan="1">C40—C41</td>
<td rowspan="1" colspan="1">1.478 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N5—H5</td>
<td rowspan="1" colspan="1">0.80 (3)</td>
<td rowspan="1" colspan="1">C41—C42</td>
<td rowspan="1" colspan="1">1.356 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N6—C74</td>
<td rowspan="1" colspan="1">1.403 (5)</td>
<td rowspan="1" colspan="1">C41—C46</td>
<td rowspan="1" colspan="1">1.391 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N6—C75</td>
<td rowspan="1" colspan="1">1.412 (6)</td>
<td rowspan="1" colspan="1">C42—C43</td>
<td rowspan="1" colspan="1">1.402 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N6—H6</td>
<td rowspan="1" colspan="1">0.955 (19)</td>
<td rowspan="1" colspan="1">C42—H42</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C27</td>
<td rowspan="1" colspan="1">1.357 (3)</td>
<td rowspan="1" colspan="1">C43—C44</td>
<td rowspan="1" colspan="1">1.380 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C24</td>
<td rowspan="1" colspan="1">1.413 (2)</td>
<td rowspan="1" colspan="1">C43—H43</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—C27</td>
<td rowspan="1" colspan="1">1.192 (3)</td>
<td rowspan="1" colspan="1">C44—C45</td>
<td rowspan="1" colspan="1">1.337 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">O3—C40</td>
<td rowspan="1" colspan="1">1.349 (3)</td>
<td rowspan="1" colspan="1">C44—H44</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">O3—C37</td>
<td rowspan="1" colspan="1">1.413 (2)</td>
<td rowspan="1" colspan="1">C45—C46</td>
<td rowspan="1" colspan="1">1.363 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O4—C40</td>
<td rowspan="1" colspan="1">1.186 (3)</td>
<td rowspan="1" colspan="1">C45—H45</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—C53</td>
<td rowspan="1" colspan="1">1.356 (3)</td>
<td rowspan="1" colspan="1">C46—H46</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">O5—C50</td>
<td rowspan="1" colspan="1">1.412 (2)</td>
<td rowspan="1" colspan="1">C47—C48</td>
<td rowspan="1" colspan="1">1.389 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O6—C53</td>
<td rowspan="1" colspan="1">1.196 (3)</td>
<td rowspan="1" colspan="1">C47—C52</td>
<td rowspan="1" colspan="1">1.394 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O7—C66</td>
<td rowspan="1" colspan="1">1.352 (3)</td>
<td rowspan="1" colspan="1">C48—C49</td>
<td rowspan="1" colspan="1">1.399 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O7—C63</td>
<td rowspan="1" colspan="1">1.413 (3)</td>
<td rowspan="1" colspan="1">C48—H48</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">O8—C66</td>
<td rowspan="1" colspan="1">1.186 (3)</td>
<td rowspan="1" colspan="1">C49—C50</td>
<td rowspan="1" colspan="1">1.378 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C20</td>
<td rowspan="1" colspan="1">1.406 (3)</td>
<td rowspan="1" colspan="1">C49—H49</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C2</td>
<td rowspan="1" colspan="1">1.446 (3)</td>
<td rowspan="1" colspan="1">C50—C51</td>
<td rowspan="1" colspan="1">1.378 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C3</td>
<td rowspan="1" colspan="1">1.352 (3)</td>
<td rowspan="1" colspan="1">C51—C52</td>
<td rowspan="1" colspan="1">1.389 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—H2</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C51—H51</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C3—C4</td>
<td rowspan="1" colspan="1">1.442 (3)</td>
<td rowspan="1" colspan="1">C52—H52</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C3—H3</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C53—C54</td>
<td rowspan="1" colspan="1">1.485 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5</td>
<td rowspan="1" colspan="1">1.398 (3)</td>
<td rowspan="1" colspan="1">C54—C55</td>
<td rowspan="1" colspan="1">1.384 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5—C6</td>
<td rowspan="1" colspan="1">1.401 (3)</td>
<td rowspan="1" colspan="1">C54—C59</td>
<td rowspan="1" colspan="1">1.387 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5—C21</td>
<td rowspan="1" colspan="1">1.506 (3)</td>
<td rowspan="1" colspan="1">C55—C56</td>
<td rowspan="1" colspan="1">1.388 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—C7</td>
<td rowspan="1" colspan="1">1.440 (3)</td>
<td rowspan="1" colspan="1">C55—H55</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—C8</td>
<td rowspan="1" colspan="1">1.350 (3)</td>
<td rowspan="1" colspan="1">C56—C57</td>
<td rowspan="1" colspan="1">1.376 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—H7</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C56—H56</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C8—C9</td>
<td rowspan="1" colspan="1">1.446 (3)</td>
<td rowspan="1" colspan="1">C57—C58</td>
<td rowspan="1" colspan="1">1.371 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C8—H8</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C57—H57</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—C10</td>
<td rowspan="1" colspan="1">1.415 (3)</td>
<td rowspan="1" colspan="1">C58—C59</td>
<td rowspan="1" colspan="1">1.379 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C10—C11</td>
<td rowspan="1" colspan="1">1.411 (3)</td>
<td rowspan="1" colspan="1">C58—H58</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C10—C34</td>
<td rowspan="1" colspan="1">1.494 (3)</td>
<td rowspan="1" colspan="1">C59—H59</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—C12</td>
<td rowspan="1" colspan="1">1.443 (3)</td>
<td rowspan="1" colspan="1">C60—C65</td>
<td rowspan="1" colspan="1">1.389 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C12—C13</td>
<td rowspan="1" colspan="1">1.351 (3)</td>
<td rowspan="1" colspan="1">C60—C61</td>
<td rowspan="1" colspan="1">1.392 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C12—H12</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C61—C62</td>
<td rowspan="1" colspan="1">1.390 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C14</td>
<td rowspan="1" colspan="1">1.443 (3)</td>
<td rowspan="1" colspan="1">C61—H61</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—H13</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C62—C63</td>
<td rowspan="1" colspan="1">1.368 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C15</td>
<td rowspan="1" colspan="1">1.402 (3)</td>
<td rowspan="1" colspan="1">C62—H62</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C16</td>
<td rowspan="1" colspan="1">1.403 (3)</td>
<td rowspan="1" colspan="1">C63—C64</td>
<td rowspan="1" colspan="1">1.376 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C47</td>
<td rowspan="1" colspan="1">1.501 (3)</td>
<td rowspan="1" colspan="1">C64—C65</td>
<td rowspan="1" colspan="1">1.392 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—C17</td>
<td rowspan="1" colspan="1">1.443 (3)</td>
<td rowspan="1" colspan="1">C64—H64</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18</td>
<td rowspan="1" colspan="1">1.349 (3)</td>
<td rowspan="1" colspan="1">C65—H65</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—H17</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C66—C67</td>
<td rowspan="1" colspan="1">1.488 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—C19</td>
<td rowspan="1" colspan="1">1.442 (3)</td>
<td rowspan="1" colspan="1">C67—C72</td>
<td rowspan="1" colspan="1">1.386 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—H18</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C67—C68</td>
<td rowspan="1" colspan="1">1.394 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—C20</td>
<td rowspan="1" colspan="1">1.407 (3)</td>
<td rowspan="1" colspan="1">C68—C69</td>
<td rowspan="1" colspan="1">1.376 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C20—C60</td>
<td rowspan="1" colspan="1">1.499 (3)</td>
<td rowspan="1" colspan="1">C68—H68</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C22</td>
<td rowspan="1" colspan="1">1.379 (3)</td>
<td rowspan="1" colspan="1">C69—C70</td>
<td rowspan="1" colspan="1">1.375 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C26</td>
<td rowspan="1" colspan="1">1.382 (3)</td>
<td rowspan="1" colspan="1">C69—H69</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—C23</td>
<td rowspan="1" colspan="1">1.395 (3)</td>
<td rowspan="1" colspan="1">C70—C71</td>
<td rowspan="1" colspan="1">1.383 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—H22</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C70—H70</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C24</td>
<td rowspan="1" colspan="1">1.366 (3)</td>
<td rowspan="1" colspan="1">C71—C72</td>
<td rowspan="1" colspan="1">1.392 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—H23</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C71—H71</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C25</td>
<td rowspan="1" colspan="1">1.364 (4)</td>
<td rowspan="1" colspan="1">C72—H72</td>
<td rowspan="1" colspan="1">0.9500</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C26</td>
<td rowspan="1" colspan="1">1.390 (3)</td>
<td rowspan="1" colspan="1">C73—C74</td>
<td rowspan="1" colspan="1">1.524 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—H25</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C73—H73A</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C26—H26</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C73—H73B</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—C28</td>
<td rowspan="1" colspan="1">1.485 (3)</td>
<td rowspan="1" colspan="1">C74—H74A</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C28—C29</td>
<td rowspan="1" colspan="1">1.379 (3)</td>
<td rowspan="1" colspan="1">C74—H74B</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C28—C33</td>
<td rowspan="1" colspan="1">1.389 (3)</td>
<td rowspan="1" colspan="1">C75—C76</td>
<td rowspan="1" colspan="1">1.562 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C29—C30</td>
<td rowspan="1" colspan="1">1.391 (3)</td>
<td rowspan="1" colspan="1">C75—H75A</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C29—H29</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C75—H75B</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C30—C31</td>
<td rowspan="1" colspan="1">1.363 (4)</td>
<td rowspan="1" colspan="1">C76—H76A</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C30—H30</td>
<td rowspan="1" colspan="1">0.9500</td>
<td rowspan="1" colspan="1">C76—H76B</td>
<td rowspan="1" colspan="1">0.9900</td>
</tr>
<tr><td rowspan="1" colspan="1">C31—C32</td>
<td rowspan="1" colspan="1">1.382 (4)</td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">N2—Zn—N4</td>
<td rowspan="1" colspan="1">157.48 (7)</td>
<td rowspan="1" colspan="1">C36—C35—H35</td>
<td rowspan="1" colspan="1">119.4</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—Zn—N3</td>
<td rowspan="1" colspan="1">87.83 (6)</td>
<td rowspan="1" colspan="1">C34—C35—H35</td>
<td rowspan="1" colspan="1">119.4</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—Zn—N3</td>
<td rowspan="1" colspan="1">88.49 (6)</td>
<td rowspan="1" colspan="1">C37—C36—C35</td>
<td rowspan="1" colspan="1">118.99 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—Zn—N1</td>
<td rowspan="1" colspan="1">88.20 (6)</td>
<td rowspan="1" colspan="1">C37—C36—H36</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—Zn—N1</td>
<td rowspan="1" colspan="1">87.89 (6)</td>
<td rowspan="1" colspan="1">C35—C36—H36</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—Zn—N1</td>
<td rowspan="1" colspan="1">160.46 (7)</td>
<td rowspan="1" colspan="1">C38—C37—C36</td>
<td rowspan="1" colspan="1">121.55 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—Zn—N5</td>
<td rowspan="1" colspan="1">101.14 (7)</td>
<td rowspan="1" colspan="1">C38—C37—O3</td>
<td rowspan="1" colspan="1">121.41 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—Zn—N5</td>
<td rowspan="1" colspan="1">101.38 (7)</td>
<td rowspan="1" colspan="1">C36—C37—O3</td>
<td rowspan="1" colspan="1">116.93 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—Zn—N5</td>
<td rowspan="1" colspan="1">99.26 (7)</td>
<td rowspan="1" colspan="1">C37—C38—C39</td>
<td rowspan="1" colspan="1">118.86 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—Zn—N5</td>
<td rowspan="1" colspan="1">100.27 (7)</td>
<td rowspan="1" colspan="1">C37—C38—H38</td>
<td rowspan="1" colspan="1">120.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—N1—C4</td>
<td rowspan="1" colspan="1">106.42 (16)</td>
<td rowspan="1" colspan="1">C39—C38—H38</td>
<td rowspan="1" colspan="1">120.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—N1—Zn</td>
<td rowspan="1" colspan="1">126.77 (13)</td>
<td rowspan="1" colspan="1">C38—C39—C34</td>
<td rowspan="1" colspan="1">121.44 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—N1—Zn</td>
<td rowspan="1" colspan="1">125.96 (13)</td>
<td rowspan="1" colspan="1">C38—C39—H39</td>
<td rowspan="1" colspan="1">119.3</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—N2—C6</td>
<td rowspan="1" colspan="1">106.21 (16)</td>
<td rowspan="1" colspan="1">C34—C39—H39</td>
<td rowspan="1" colspan="1">119.3</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—N2—Zn</td>
<td rowspan="1" colspan="1">127.12 (13)</td>
<td rowspan="1" colspan="1">O4—C40—O3</td>
<td rowspan="1" colspan="1">122.2 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—N2—Zn</td>
<td rowspan="1" colspan="1">126.67 (13)</td>
<td rowspan="1" colspan="1">O4—C40—C41</td>
<td rowspan="1" colspan="1">124.1 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—N3—C14</td>
<td rowspan="1" colspan="1">106.69 (16)</td>
<td rowspan="1" colspan="1">O3—C40—C41</td>
<td rowspan="1" colspan="1">113.66 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—N3—Zn</td>
<td rowspan="1" colspan="1">125.75 (13)</td>
<td rowspan="1" colspan="1">C42—C41—C46</td>
<td rowspan="1" colspan="1">119.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—N3—Zn</td>
<td rowspan="1" colspan="1">124.90 (13)</td>
<td rowspan="1" colspan="1">C42—C41—C40</td>
<td rowspan="1" colspan="1">122.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—N4—C16</td>
<td rowspan="1" colspan="1">106.66 (16)</td>
<td rowspan="1" colspan="1">C46—C41—C40</td>
<td rowspan="1" colspan="1">117.9 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—N4—Zn</td>
<td rowspan="1" colspan="1">126.93 (13)</td>
<td rowspan="1" colspan="1">C41—C42—C43</td>
<td rowspan="1" colspan="1">118.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—N4—Zn</td>
<td rowspan="1" colspan="1">126.10 (13)</td>
<td rowspan="1" colspan="1">C41—C42—H42</td>
<td rowspan="1" colspan="1">121.0</td>
</tr>
<tr><td rowspan="1" colspan="1">C73—N5—C76</td>
<td rowspan="1" colspan="1">109.9 (2)</td>
<td rowspan="1" colspan="1">C43—C42—H42</td>
<td rowspan="1" colspan="1">121.0</td>
</tr>
<tr><td rowspan="1" colspan="1">C73—N5—Zn</td>
<td rowspan="1" colspan="1">112.62 (16)</td>
<td rowspan="1" colspan="1">C44—C43—C42</td>
<td rowspan="1" colspan="1">120.8 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C76—N5—Zn</td>
<td rowspan="1" colspan="1">111.88 (17)</td>
<td rowspan="1" colspan="1">C44—C43—H43</td>
<td rowspan="1" colspan="1">119.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C73—N5—H5</td>
<td rowspan="1" colspan="1">107 (2)</td>
<td rowspan="1" colspan="1">C42—C43—H43</td>
<td rowspan="1" colspan="1">119.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C76—N5—H5</td>
<td rowspan="1" colspan="1">109 (2)</td>
<td rowspan="1" colspan="1">C45—C44—C43</td>
<td rowspan="1" colspan="1">120.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N5—H5</td>
<td rowspan="1" colspan="1">106 (2)</td>
<td rowspan="1" colspan="1">C45—C44—H44</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C74—N6—C75</td>
<td rowspan="1" colspan="1">109.8 (3)</td>
<td rowspan="1" colspan="1">C43—C44—H44</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C74—N6—H6</td>
<td rowspan="1" colspan="1">104 (3)</td>
<td rowspan="1" colspan="1">C44—C45—C46</td>
<td rowspan="1" colspan="1">119.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C75—N6—H6</td>
<td rowspan="1" colspan="1">108 (3)</td>
<td rowspan="1" colspan="1">C44—C45—H45</td>
<td rowspan="1" colspan="1">120.4</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—O1—C24</td>
<td rowspan="1" colspan="1">115.51 (17)</td>
<td rowspan="1" colspan="1">C46—C45—H45</td>
<td rowspan="1" colspan="1">120.4</td>
</tr>
<tr><td rowspan="1" colspan="1">C40—O3—C37</td>
<td rowspan="1" colspan="1">117.59 (16)</td>
<td rowspan="1" colspan="1">C45—C46—C41</td>
<td rowspan="1" colspan="1">121.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C53—O5—C50</td>
<td rowspan="1" colspan="1">115.50 (16)</td>
<td rowspan="1" colspan="1">C45—C46—H46</td>
<td rowspan="1" colspan="1">119.2</td>
</tr>
<tr><td rowspan="1" colspan="1">C66—O7—C63</td>
<td rowspan="1" colspan="1">116.07 (18)</td>
<td rowspan="1" colspan="1">C41—C46—H46</td>
<td rowspan="1" colspan="1">119.2</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C1—C20</td>
<td rowspan="1" colspan="1">125.22 (18)</td>
<td rowspan="1" colspan="1">C48—C47—C52</td>
<td rowspan="1" colspan="1">118.63 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C1—C2</td>
<td rowspan="1" colspan="1">109.82 (17)</td>
<td rowspan="1" colspan="1">C48—C47—C15</td>
<td rowspan="1" colspan="1">121.26 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">C20—C1—C2</td>
<td rowspan="1" colspan="1">124.87 (19)</td>
<td rowspan="1" colspan="1">C52—C47—C15</td>
<td rowspan="1" colspan="1">120.07 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C3—C2—C1</td>
<td rowspan="1" colspan="1">106.97 (19)</td>
<td rowspan="1" colspan="1">C47—C48—C49</td>
<td rowspan="1" colspan="1">120.79 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C3—C2—H2</td>
<td rowspan="1" colspan="1">126.5</td>
<td rowspan="1" colspan="1">C47—C48—H48</td>
<td rowspan="1" colspan="1">119.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C2—H2</td>
<td rowspan="1" colspan="1">126.5</td>
<td rowspan="1" colspan="1">C49—C48—H48</td>
<td rowspan="1" colspan="1">119.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C3—C4</td>
<td rowspan="1" colspan="1">107.00 (19)</td>
<td rowspan="1" colspan="1">C50—C49—C48</td>
<td rowspan="1" colspan="1">118.75 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C3—H3</td>
<td rowspan="1" colspan="1">126.5</td>
<td rowspan="1" colspan="1">C50—C49—H49</td>
<td rowspan="1" colspan="1">120.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C3—H3</td>
<td rowspan="1" colspan="1">126.5</td>
<td rowspan="1" colspan="1">C48—C49—H49</td>
<td rowspan="1" colspan="1">120.6</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C4—C5</td>
<td rowspan="1" colspan="1">125.06 (18)</td>
<td rowspan="1" colspan="1">C49—C50—C51</td>
<td rowspan="1" colspan="1">121.91 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C4—C3</td>
<td rowspan="1" colspan="1">109.77 (18)</td>
<td rowspan="1" colspan="1">C49—C50—O5</td>
<td rowspan="1" colspan="1">118.55 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5—C4—C3</td>
<td rowspan="1" colspan="1">124.86 (18)</td>
<td rowspan="1" colspan="1">C51—C50—O5</td>
<td rowspan="1" colspan="1">119.51 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5—C6</td>
<td rowspan="1" colspan="1">125.52 (18)</td>
<td rowspan="1" colspan="1">C50—C51—C52</td>
<td rowspan="1" colspan="1">118.71 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5—C21</td>
<td rowspan="1" colspan="1">118.37 (17)</td>
<td rowspan="1" colspan="1">C50—C51—H51</td>
<td rowspan="1" colspan="1">120.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—C5—C21</td>
<td rowspan="1" colspan="1">116.05 (17)</td>
<td rowspan="1" colspan="1">C52—C51—H51</td>
<td rowspan="1" colspan="1">120.6</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C6—C5</td>
<td rowspan="1" colspan="1">125.73 (18)</td>
<td rowspan="1" colspan="1">C51—C52—C47</td>
<td rowspan="1" colspan="1">121.18 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C6—C7</td>
<td rowspan="1" colspan="1">109.93 (17)</td>
<td rowspan="1" colspan="1">C51—C52—H52</td>
<td rowspan="1" colspan="1">119.4</td>
</tr>
<tr><td rowspan="1" colspan="1">C5—C6—C7</td>
<td rowspan="1" colspan="1">124.34 (18)</td>
<td rowspan="1" colspan="1">C47—C52—H52</td>
<td rowspan="1" colspan="1">119.4</td>
</tr>
<tr><td rowspan="1" colspan="1">C8—C7—C6</td>
<td rowspan="1" colspan="1">106.98 (18)</td>
<td rowspan="1" colspan="1">O6—C53—O5</td>
<td rowspan="1" colspan="1">122.91 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C8—C7—H7</td>
<td rowspan="1" colspan="1">126.5</td>
<td rowspan="1" colspan="1">O6—C53—C54</td>
<td rowspan="1" colspan="1">124.4 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—C7—H7</td>
<td rowspan="1" colspan="1">126.5</td>
<td rowspan="1" colspan="1">O5—C53—C54</td>
<td rowspan="1" colspan="1">112.71 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—C8—C9</td>
<td rowspan="1" colspan="1">107.27 (18)</td>
<td rowspan="1" colspan="1">C55—C54—C59</td>
<td rowspan="1" colspan="1">120.1 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—C8—H8</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C55—C54—C53</td>
<td rowspan="1" colspan="1">122.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—C8—H8</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C59—C54—C53</td>
<td rowspan="1" colspan="1">117.3 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C9—C10</td>
<td rowspan="1" colspan="1">125.67 (17)</td>
<td rowspan="1" colspan="1">C54—C55—C56</td>
<td rowspan="1" colspan="1">119.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C9—C8</td>
<td rowspan="1" colspan="1">109.56 (17)</td>
<td rowspan="1" colspan="1">C54—C55—H55</td>
<td rowspan="1" colspan="1">120.4</td>
</tr>
<tr><td rowspan="1" colspan="1">C10—C9—C8</td>
<td rowspan="1" colspan="1">124.77 (18)</td>
<td rowspan="1" colspan="1">C56—C55—H55</td>
<td rowspan="1" colspan="1">120.4</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—C10—C9</td>
<td rowspan="1" colspan="1">124.40 (18)</td>
<td rowspan="1" colspan="1">C57—C56—C55</td>
<td rowspan="1" colspan="1">120.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—C10—C34</td>
<td rowspan="1" colspan="1">119.01 (17)</td>
<td rowspan="1" colspan="1">C57—C56—H56</td>
<td rowspan="1" colspan="1">120.0</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—C10—C34</td>
<td rowspan="1" colspan="1">116.59 (17)</td>
<td rowspan="1" colspan="1">C55—C56—H56</td>
<td rowspan="1" colspan="1">120.0</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C11—C10</td>
<td rowspan="1" colspan="1">124.88 (17)</td>
<td rowspan="1" colspan="1">C58—C57—C56</td>
<td rowspan="1" colspan="1">120.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C11—C12</td>
<td rowspan="1" colspan="1">109.46 (17)</td>
<td rowspan="1" colspan="1">C58—C57—H57</td>
<td rowspan="1" colspan="1">119.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C10—C11—C12</td>
<td rowspan="1" colspan="1">125.61 (18)</td>
<td rowspan="1" colspan="1">C56—C57—H57</td>
<td rowspan="1" colspan="1">119.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C12—C11</td>
<td rowspan="1" colspan="1">107.13 (18)</td>
<td rowspan="1" colspan="1">C57—C58—C59</td>
<td rowspan="1" colspan="1">119.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C12—H12</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C57—C58—H58</td>
<td rowspan="1" colspan="1">120.2</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—C12—H12</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C59—C58—H58</td>
<td rowspan="1" colspan="1">120.2</td>
</tr>
<tr><td rowspan="1" colspan="1">C12—C13—C14</td>
<td rowspan="1" colspan="1">107.36 (18)</td>
<td rowspan="1" colspan="1">C58—C59—C54</td>
<td rowspan="1" colspan="1">120.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C12—C13—H13</td>
<td rowspan="1" colspan="1">126.3</td>
<td rowspan="1" colspan="1">C58—C59—H59</td>
<td rowspan="1" colspan="1">119.9</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C13—H13</td>
<td rowspan="1" colspan="1">126.3</td>
<td rowspan="1" colspan="1">C54—C59—H59</td>
<td rowspan="1" colspan="1">119.9</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C14—C15</td>
<td rowspan="1" colspan="1">125.27 (17)</td>
<td rowspan="1" colspan="1">C65—C60—C61</td>
<td rowspan="1" colspan="1">118.7 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C14—C13</td>
<td rowspan="1" colspan="1">109.28 (17)</td>
<td rowspan="1" colspan="1">C65—C60—C20</td>
<td rowspan="1" colspan="1">120.99 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C14—C13</td>
<td rowspan="1" colspan="1">125.44 (18)</td>
<td rowspan="1" colspan="1">C61—C60—C20</td>
<td rowspan="1" colspan="1">120.28 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C15—C16</td>
<td rowspan="1" colspan="1">125.66 (17)</td>
<td rowspan="1" colspan="1">C62—C61—C60</td>
<td rowspan="1" colspan="1">120.9 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C15—C47</td>
<td rowspan="1" colspan="1">117.88 (17)</td>
<td rowspan="1" colspan="1">C62—C61—H61</td>
<td rowspan="1" colspan="1">119.6</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—C15—C47</td>
<td rowspan="1" colspan="1">116.43 (17)</td>
<td rowspan="1" colspan="1">C60—C61—H61</td>
<td rowspan="1" colspan="1">119.6</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C16—C15</td>
<td rowspan="1" colspan="1">125.72 (17)</td>
<td rowspan="1" colspan="1">C63—C62—C61</td>
<td rowspan="1" colspan="1">118.9 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C16—C17</td>
<td rowspan="1" colspan="1">109.40 (17)</td>
<td rowspan="1" colspan="1">C63—C62—H62</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C16—C17</td>
<td rowspan="1" colspan="1">124.87 (18)</td>
<td rowspan="1" colspan="1">C61—C62—H62</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—C17—C16</td>
<td rowspan="1" colspan="1">107.19 (18)</td>
<td rowspan="1" colspan="1">C62—C63—C64</td>
<td rowspan="1" colspan="1">121.8 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—C17—H17</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C62—C63—O7</td>
<td rowspan="1" colspan="1">118.7 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—C17—H17</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C64—C63—O7</td>
<td rowspan="1" colspan="1">119.4 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18—C19</td>
<td rowspan="1" colspan="1">107.28 (18)</td>
<td rowspan="1" colspan="1">C63—C64—C65</td>
<td rowspan="1" colspan="1">119.1 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18—H18</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C63—C64—H64</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—C18—H18</td>
<td rowspan="1" colspan="1">126.4</td>
<td rowspan="1" colspan="1">C65—C64—H64</td>
<td rowspan="1" colspan="1">120.5</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C19—C20</td>
<td rowspan="1" colspan="1">125.76 (18)</td>
<td rowspan="1" colspan="1">C60—C65—C64</td>
<td rowspan="1" colspan="1">120.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C19—C18</td>
<td rowspan="1" colspan="1">109.44 (17)</td>
<td rowspan="1" colspan="1">C60—C65—H65</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C20—C19—C18</td>
<td rowspan="1" colspan="1">124.79 (18)</td>
<td rowspan="1" colspan="1">C64—C65—H65</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C20—C19</td>
<td rowspan="1" colspan="1">125.24 (18)</td>
<td rowspan="1" colspan="1">O8—C66—O7</td>
<td rowspan="1" colspan="1">122.9 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C20—C60</td>
<td rowspan="1" colspan="1">117.55 (18)</td>
<td rowspan="1" colspan="1">O8—C66—C67</td>
<td rowspan="1" colspan="1">125.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—C20—C60</td>
<td rowspan="1" colspan="1">117.20 (18)</td>
<td rowspan="1" colspan="1">O7—C66—C67</td>
<td rowspan="1" colspan="1">111.55 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—C21—C26</td>
<td rowspan="1" colspan="1">118.97 (19)</td>
<td rowspan="1" colspan="1">C72—C67—C68</td>
<td rowspan="1" colspan="1">119.7 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—C21—C5</td>
<td rowspan="1" colspan="1">120.72 (19)</td>
<td rowspan="1" colspan="1">C72—C67—C66</td>
<td rowspan="1" colspan="1">122.7 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C26—C21—C5</td>
<td rowspan="1" colspan="1">120.25 (19)</td>
<td rowspan="1" colspan="1">C68—C67—C66</td>
<td rowspan="1" colspan="1">117.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C22—C23</td>
<td rowspan="1" colspan="1">120.5 (2)</td>
<td rowspan="1" colspan="1">C69—C68—C67</td>
<td rowspan="1" colspan="1">119.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C22—H22</td>
<td rowspan="1" colspan="1">119.7</td>
<td rowspan="1" colspan="1">C69—C68—H68</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C22—H22</td>
<td rowspan="1" colspan="1">119.7</td>
<td rowspan="1" colspan="1">C67—C68—H68</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C23—C22</td>
<td rowspan="1" colspan="1">118.9 (2)</td>
<td rowspan="1" colspan="1">C70—C69—C68</td>
<td rowspan="1" colspan="1">120.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C23—H23</td>
<td rowspan="1" colspan="1">120.6</td>
<td rowspan="1" colspan="1">C70—C69—H69</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—C23—H23</td>
<td rowspan="1" colspan="1">120.6</td>
<td rowspan="1" colspan="1">C68—C69—H69</td>
<td rowspan="1" colspan="1">119.7</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C24—C23</td>
<td rowspan="1" colspan="1">121.9 (2)</td>
<td rowspan="1" colspan="1">C69—C70—C71</td>
<td rowspan="1" colspan="1">120.2 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C24—O1</td>
<td rowspan="1" colspan="1">119.1 (2)</td>
<td rowspan="1" colspan="1">C69—C70—H70</td>
<td rowspan="1" colspan="1">119.9</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C24—O1</td>
<td rowspan="1" colspan="1">118.9 (2)</td>
<td rowspan="1" colspan="1">C71—C70—H70</td>
<td rowspan="1" colspan="1">119.9</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C25—C26</td>
<td rowspan="1" colspan="1">118.8 (2)</td>
<td rowspan="1" colspan="1">C70—C71—C72</td>
<td rowspan="1" colspan="1">119.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C25—H25</td>
<td rowspan="1" colspan="1">120.6</td>
<td rowspan="1" colspan="1">C70—C71—H71</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">C26—C25—H25</td>
<td rowspan="1" colspan="1">120.6</td>
<td rowspan="1" colspan="1">C72—C71—H71</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C26—C25</td>
<td rowspan="1" colspan="1">120.8 (2)</td>
<td rowspan="1" colspan="1">C67—C72—C71</td>
<td rowspan="1" colspan="1">119.8 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C26—H26</td>
<td rowspan="1" colspan="1">119.6</td>
<td rowspan="1" colspan="1">C67—C72—H72</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">C25—C26—H26</td>
<td rowspan="1" colspan="1">119.6</td>
<td rowspan="1" colspan="1">C71—C72—H72</td>
<td rowspan="1" colspan="1">120.1</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—C27—O1</td>
<td rowspan="1" colspan="1">123.0 (2)</td>
<td rowspan="1" colspan="1">N5—C73—C74</td>
<td rowspan="1" colspan="1">113.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—C27—C28</td>
<td rowspan="1" colspan="1">125.2 (2)</td>
<td rowspan="1" colspan="1">N5—C73—H73A</td>
<td rowspan="1" colspan="1">108.9</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C27—C28</td>
<td rowspan="1" colspan="1">111.80 (18)</td>
<td rowspan="1" colspan="1">C74—C73—H73A</td>
<td rowspan="1" colspan="1">108.9</td>
</tr>
<tr><td rowspan="1" colspan="1">C29—C28—C33</td>
<td rowspan="1" colspan="1">120.4 (2)</td>
<td rowspan="1" colspan="1">N5—C73—H73B</td>
<td rowspan="1" colspan="1">108.9</td>
</tr>
<tr><td rowspan="1" colspan="1">C29—C28—C27</td>
<td rowspan="1" colspan="1">123.0 (2)</td>
<td rowspan="1" colspan="1">C74—C73—H73B</td>
<td rowspan="1" colspan="1">108.9</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—C28—C27</td>
<td rowspan="1" colspan="1">116.6 (2)</td>
<td rowspan="1" colspan="1">H73A—C73—H73B</td>
<td rowspan="1" colspan="1">107.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C28—C29—C30</td>
<td rowspan="1" colspan="1">118.8 (2)</td>
<td rowspan="1" colspan="1">N6—C74—C73</td>
<td rowspan="1" colspan="1">109.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C28—C29—H29</td>
<td rowspan="1" colspan="1">120.6</td>
<td rowspan="1" colspan="1">N6—C74—H74A</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C30—C29—H29</td>
<td rowspan="1" colspan="1">120.6</td>
<td rowspan="1" colspan="1">C73—C74—H74A</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C31—C30—C29</td>
<td rowspan="1" colspan="1">121.0 (2)</td>
<td rowspan="1" colspan="1">N6—C74—H74B</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C31—C30—H30</td>
<td rowspan="1" colspan="1">119.5</td>
<td rowspan="1" colspan="1">C73—C74—H74B</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C29—C30—H30</td>
<td rowspan="1" colspan="1">119.5</td>
<td rowspan="1" colspan="1">H74A—C74—H74B</td>
<td rowspan="1" colspan="1">108.3</td>
</tr>
<tr><td rowspan="1" colspan="1">C30—C31—C32</td>
<td rowspan="1" colspan="1">120.0 (2)</td>
<td rowspan="1" colspan="1">N6—C75—C76</td>
<td rowspan="1" colspan="1">109.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C30—C31—H31</td>
<td rowspan="1" colspan="1">120.0</td>
<td rowspan="1" colspan="1">N6—C75—H75A</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C32—C31—H31</td>
<td rowspan="1" colspan="1">120.0</td>
<td rowspan="1" colspan="1">C76—C75—H75A</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—C32—C31</td>
<td rowspan="1" colspan="1">120.0 (2)</td>
<td rowspan="1" colspan="1">N6—C75—H75B</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C33—C32—H32</td>
<td rowspan="1" colspan="1">120.0</td>
<td rowspan="1" colspan="1">C76—C75—H75B</td>
<td rowspan="1" colspan="1">109.8</td>
</tr>
<tr><td rowspan="1" colspan="1">C31—C32—H32</td>
<td rowspan="1" colspan="1">120.0</td>
<td rowspan="1" colspan="1">H75A—C75—H75B</td>
<td rowspan="1" colspan="1">108.2</td>
</tr>
<tr><td rowspan="1" colspan="1">C32—C33—C28</td>
<td rowspan="1" colspan="1">119.8 (2)</td>
<td rowspan="1" colspan="1">N5—C76—C75</td>
<td rowspan="1" colspan="1">111.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C32—C33—H33</td>
<td rowspan="1" colspan="1">120.1</td>
<td rowspan="1" colspan="1">N5—C76—H76A</td>
<td rowspan="1" colspan="1">109.3</td>
</tr>
<tr><td rowspan="1" colspan="1">C28—C33—H33</td>
<td rowspan="1" colspan="1">120.1</td>
<td rowspan="1" colspan="1">C75—C76—H76A</td>
<td rowspan="1" colspan="1">109.3</td>
</tr>
<tr><td rowspan="1" colspan="1">C39—C34—C35</td>
<td rowspan="1" colspan="1">118.02 (18)</td>
<td rowspan="1" colspan="1">N5—C76—H76B</td>
<td rowspan="1" colspan="1">109.3</td>
</tr>
<tr><td rowspan="1" colspan="1">C39—C34—C10</td>
<td rowspan="1" colspan="1">121.99 (18)</td>
<td rowspan="1" colspan="1">C75—C76—H76B</td>
<td rowspan="1" colspan="1">109.3</td>
</tr>
<tr><td rowspan="1" colspan="1">C35—C34—C10</td>
<td rowspan="1" colspan="1">119.92 (18)</td>
<td rowspan="1" colspan="1">H76A—C76—H76B</td>
<td rowspan="1" colspan="1">108.0</td>
</tr>
<tr><td rowspan="1" colspan="1">C36—C35—C34</td>
<td rowspan="1" colspan="1">121.14 (19)</td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
<td rowspan="1" colspan="1"></td>
</tr>
<tr><td rowspan="1" colspan="1">C4—N1—C1—C20</td>
<td rowspan="1" colspan="1">−175.8 (2)</td>
<td rowspan="1" colspan="1">C33—C28—C29—C30</td>
<td rowspan="1" colspan="1">−1.0 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N1—C1—C20</td>
<td rowspan="1" colspan="1">14.2 (3)</td>
<td rowspan="1" colspan="1">C27—C28—C29—C30</td>
<td rowspan="1" colspan="1">179.8 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—N1—C1—C2</td>
<td rowspan="1" colspan="1">0.8 (2)</td>
<td rowspan="1" colspan="1">C28—C29—C30—C31</td>
<td rowspan="1" colspan="1">0.2 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N1—C1—C2</td>
<td rowspan="1" colspan="1">−169.15 (15)</td>
<td rowspan="1" colspan="1">C29—C30—C31—C32</td>
<td rowspan="1" colspan="1">1.3 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C1—C2—C3</td>
<td rowspan="1" colspan="1">−0.2 (3)</td>
<td rowspan="1" colspan="1">C30—C31—C32—C33</td>
<td rowspan="1" colspan="1">−1.9 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C20—C1—C2—C3</td>
<td rowspan="1" colspan="1">176.5 (2)</td>
<td rowspan="1" colspan="1">C31—C32—C33—C28</td>
<td rowspan="1" colspan="1">1.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—C2—C3—C4</td>
<td rowspan="1" colspan="1">−0.5 (3)</td>
<td rowspan="1" colspan="1">C29—C28—C33—C32</td>
<td rowspan="1" colspan="1">0.3 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—N1—C4—C5</td>
<td rowspan="1" colspan="1">172.7 (2)</td>
<td rowspan="1" colspan="1">C27—C28—C33—C32</td>
<td rowspan="1" colspan="1">179.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N1—C4—C5</td>
<td rowspan="1" colspan="1">−17.2 (3)</td>
<td rowspan="1" colspan="1">C11—C10—C34—C39</td>
<td rowspan="1" colspan="1">−53.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C1—N1—C4—C3</td>
<td rowspan="1" colspan="1">−1.1 (2)</td>
<td rowspan="1" colspan="1">C9—C10—C34—C39</td>
<td rowspan="1" colspan="1">125.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N1—C4—C3</td>
<td rowspan="1" colspan="1">168.92 (15)</td>
<td rowspan="1" colspan="1">C11—C10—C34—C35</td>
<td rowspan="1" colspan="1">129.3 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C3—C4—N1</td>
<td rowspan="1" colspan="1">1.1 (3)</td>
<td rowspan="1" colspan="1">C9—C10—C34—C35</td>
<td rowspan="1" colspan="1">−51.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C3—C4—C5</td>
<td rowspan="1" colspan="1">−172.8 (2)</td>
<td rowspan="1" colspan="1">C39—C34—C35—C36</td>
<td rowspan="1" colspan="1">−0.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C4—C5—C6</td>
<td rowspan="1" colspan="1">1.0 (3)</td>
<td rowspan="1" colspan="1">C10—C34—C35—C36</td>
<td rowspan="1" colspan="1">176.17 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C3—C4—C5—C6</td>
<td rowspan="1" colspan="1">173.9 (2)</td>
<td rowspan="1" colspan="1">C34—C35—C36—C37</td>
<td rowspan="1" colspan="1">0.8 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C4—C5—C21</td>
<td rowspan="1" colspan="1">−175.88 (19)</td>
<td rowspan="1" colspan="1">C35—C36—C37—C38</td>
<td rowspan="1" colspan="1">−0.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C3—C4—C5—C21</td>
<td rowspan="1" colspan="1">−2.9 (3)</td>
<td rowspan="1" colspan="1">C35—C36—C37—O3</td>
<td rowspan="1" colspan="1">−176.19 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—N2—C6—C5</td>
<td rowspan="1" colspan="1">179.07 (19)</td>
<td rowspan="1" colspan="1">C40—O3—C37—C38</td>
<td rowspan="1" colspan="1">66.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N2—C6—C5</td>
<td rowspan="1" colspan="1">−1.2 (3)</td>
<td rowspan="1" colspan="1">C40—O3—C37—C36</td>
<td rowspan="1" colspan="1">−117.3 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—N2—C6—C7</td>
<td rowspan="1" colspan="1">−1.9 (2)</td>
<td rowspan="1" colspan="1">C36—C37—C38—C39</td>
<td rowspan="1" colspan="1">−0.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N2—C6—C7</td>
<td rowspan="1" colspan="1">177.78 (14)</td>
<td rowspan="1" colspan="1">O3—C37—C38—C39</td>
<td rowspan="1" colspan="1">175.36 (17)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5—C6—N2</td>
<td rowspan="1" colspan="1">9.0 (3)</td>
<td rowspan="1" colspan="1">C37—C38—C39—C34</td>
<td rowspan="1" colspan="1">0.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C5—C6—N2</td>
<td rowspan="1" colspan="1">−174.09 (18)</td>
<td rowspan="1" colspan="1">C35—C34—C39—C38</td>
<td rowspan="1" colspan="1">0.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5—C6—C7</td>
<td rowspan="1" colspan="1">−169.9 (2)</td>
<td rowspan="1" colspan="1">C10—C34—C39—C38</td>
<td rowspan="1" colspan="1">−176.78 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C5—C6—C7</td>
<td rowspan="1" colspan="1">7.1 (3)</td>
<td rowspan="1" colspan="1">C37—O3—C40—O4</td>
<td rowspan="1" colspan="1">−3.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C6—C7—C8</td>
<td rowspan="1" colspan="1">0.7 (2)</td>
<td rowspan="1" colspan="1">C37—O3—C40—C41</td>
<td rowspan="1" colspan="1">174.80 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5—C6—C7—C8</td>
<td rowspan="1" colspan="1">179.7 (2)</td>
<td rowspan="1" colspan="1">O4—C40—C41—C42</td>
<td rowspan="1" colspan="1">−173.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—C7—C8—C9</td>
<td rowspan="1" colspan="1">0.8 (2)</td>
<td rowspan="1" colspan="1">O3—C40—C41—C42</td>
<td rowspan="1" colspan="1">8.6 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—N2—C9—C10</td>
<td rowspan="1" colspan="1">−176.66 (19)</td>
<td rowspan="1" colspan="1">O4—C40—C41—C46</td>
<td rowspan="1" colspan="1">5.6 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N2—C9—C10</td>
<td rowspan="1" colspan="1">3.6 (3)</td>
<td rowspan="1" colspan="1">O3—C40—C41—C46</td>
<td rowspan="1" colspan="1">−172.3 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—N2—C9—C8</td>
<td rowspan="1" colspan="1">2.4 (2)</td>
<td rowspan="1" colspan="1">C46—C41—C42—C43</td>
<td rowspan="1" colspan="1">0.0 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N2—C9—C8</td>
<td rowspan="1" colspan="1">−177.26 (14)</td>
<td rowspan="1" colspan="1">C40—C41—C42—C43</td>
<td rowspan="1" colspan="1">179.2 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—C8—C9—N2</td>
<td rowspan="1" colspan="1">−2.1 (2)</td>
<td rowspan="1" colspan="1">C41—C42—C43—C44</td>
<td rowspan="1" colspan="1">0.1 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">C7—C8—C9—C10</td>
<td rowspan="1" colspan="1">177.0 (2)</td>
<td rowspan="1" colspan="1">C42—C43—C44—C45</td>
<td rowspan="1" colspan="1">0.8 (9)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C9—C10—C11</td>
<td rowspan="1" colspan="1">−10.6 (3)</td>
<td rowspan="1" colspan="1">C43—C44—C45—C46</td>
<td rowspan="1" colspan="1">−1.9 (8)</td>
</tr>
<tr><td rowspan="1" colspan="1">C8—C9—C10—C11</td>
<td rowspan="1" colspan="1">170.4 (2)</td>
<td rowspan="1" colspan="1">C44—C45—C46—C41</td>
<td rowspan="1" colspan="1">2.0 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">N2—C9—C10—C34</td>
<td rowspan="1" colspan="1">170.12 (18)</td>
<td rowspan="1" colspan="1">C42—C41—C46—C45</td>
<td rowspan="1" colspan="1">−1.1 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C8—C9—C10—C34</td>
<td rowspan="1" colspan="1">−8.9 (3)</td>
<td rowspan="1" colspan="1">C40—C41—C46—C45</td>
<td rowspan="1" colspan="1">179.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—N3—C11—C10</td>
<td rowspan="1" colspan="1">−174.97 (19)</td>
<td rowspan="1" colspan="1">C14—C15—C47—C48</td>
<td rowspan="1" colspan="1">65.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N3—C11—C10</td>
<td rowspan="1" colspan="1">22.9 (3)</td>
<td rowspan="1" colspan="1">C16—C15—C47—C48</td>
<td rowspan="1" colspan="1">−112.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—N3—C11—C12</td>
<td rowspan="1" colspan="1">2.7 (2)</td>
<td rowspan="1" colspan="1">C14—C15—C47—C52</td>
<td rowspan="1" colspan="1">−116.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N3—C11—C12</td>
<td rowspan="1" colspan="1">−159.49 (14)</td>
<td rowspan="1" colspan="1">C16—C15—C47—C52</td>
<td rowspan="1" colspan="1">65.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—C10—C11—N3</td>
<td rowspan="1" colspan="1">−3.6 (3)</td>
<td rowspan="1" colspan="1">C52—C47—C48—C49</td>
<td rowspan="1" colspan="1">0.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C34—C10—C11—N3</td>
<td rowspan="1" colspan="1">175.66 (18)</td>
<td rowspan="1" colspan="1">C15—C47—C48—C49</td>
<td rowspan="1" colspan="1">178.19 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C9—C10—C11—C12</td>
<td rowspan="1" colspan="1">179.1 (2)</td>
<td rowspan="1" colspan="1">C47—C48—C49—C50</td>
<td rowspan="1" colspan="1">1.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C34—C10—C11—C12</td>
<td rowspan="1" colspan="1">−1.6 (3)</td>
<td rowspan="1" colspan="1">C48—C49—C50—C51</td>
<td rowspan="1" colspan="1">−1.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C11—C12—C13</td>
<td rowspan="1" colspan="1">−2.5 (2)</td>
<td rowspan="1" colspan="1">C48—C49—C50—O5</td>
<td rowspan="1" colspan="1">176.48 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C10—C11—C12—C13</td>
<td rowspan="1" colspan="1">175.1 (2)</td>
<td rowspan="1" colspan="1">C53—O5—C50—C49</td>
<td rowspan="1" colspan="1">113.0 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—C12—C13—C14</td>
<td rowspan="1" colspan="1">1.3 (2)</td>
<td rowspan="1" colspan="1">C53—O5—C50—C51</td>
<td rowspan="1" colspan="1">−69.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—N3—C14—C15</td>
<td rowspan="1" colspan="1">177.00 (19)</td>
<td rowspan="1" colspan="1">C49—C50—C51—C52</td>
<td rowspan="1" colspan="1">0.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N3—C14—C15</td>
<td rowspan="1" colspan="1">−20.6 (3)</td>
<td rowspan="1" colspan="1">O5—C50—C51—C52</td>
<td rowspan="1" colspan="1">−177.73 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C11—N3—C14—C13</td>
<td rowspan="1" colspan="1">−1.9 (2)</td>
<td rowspan="1" colspan="1">C50—C51—C52—C47</td>
<td rowspan="1" colspan="1">1.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N3—C14—C13</td>
<td rowspan="1" colspan="1">160.46 (14)</td>
<td rowspan="1" colspan="1">C48—C47—C52—C51</td>
<td rowspan="1" colspan="1">−1.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C12—C13—C14—N3</td>
<td rowspan="1" colspan="1">0.4 (2)</td>
<td rowspan="1" colspan="1">C15—C47—C52—C51</td>
<td rowspan="1" colspan="1">−179.52 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C12—C13—C14—C15</td>
<td rowspan="1" colspan="1">−178.5 (2)</td>
<td rowspan="1" colspan="1">C50—O5—C53—O6</td>
<td rowspan="1" colspan="1">−7.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C14—C15—C16</td>
<td rowspan="1" colspan="1">4.9 (3)</td>
<td rowspan="1" colspan="1">C50—O5—C53—C54</td>
<td rowspan="1" colspan="1">172.71 (18)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C14—C15—C16</td>
<td rowspan="1" colspan="1">−176.4 (2)</td>
<td rowspan="1" colspan="1">O6—C53—C54—C55</td>
<td rowspan="1" colspan="1">168.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N3—C14—C15—C47</td>
<td rowspan="1" colspan="1">−172.86 (18)</td>
<td rowspan="1" colspan="1">O5—C53—C54—C55</td>
<td rowspan="1" colspan="1">−11.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C13—C14—C15—C47</td>
<td rowspan="1" colspan="1">5.9 (3)</td>
<td rowspan="1" colspan="1">O6—C53—C54—C59</td>
<td rowspan="1" colspan="1">−8.6 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—N4—C16—C15</td>
<td rowspan="1" colspan="1">179.90 (19)</td>
<td rowspan="1" colspan="1">O5—C53—C54—C59</td>
<td rowspan="1" colspan="1">171.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N4—C16—C15</td>
<td rowspan="1" colspan="1">5.9 (3)</td>
<td rowspan="1" colspan="1">C59—C54—C55—C56</td>
<td rowspan="1" colspan="1">1.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C19—N4—C16—C17</td>
<td rowspan="1" colspan="1">−1.1 (2)</td>
<td rowspan="1" colspan="1">C53—C54—C55—C56</td>
<td rowspan="1" colspan="1">−175.9 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N4—C16—C17</td>
<td rowspan="1" colspan="1">−175.12 (14)</td>
<td rowspan="1" colspan="1">C54—C55—C56—C57</td>
<td rowspan="1" colspan="1">−0.1 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C15—C16—N4</td>
<td rowspan="1" colspan="1">3.2 (3)</td>
<td rowspan="1" colspan="1">C55—C56—C57—C58</td>
<td rowspan="1" colspan="1">−1.0 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C47—C15—C16—N4</td>
<td rowspan="1" colspan="1">−179.04 (18)</td>
<td rowspan="1" colspan="1">C56—C57—C58—C59</td>
<td rowspan="1" colspan="1">1.2 (6)</td>
</tr>
<tr><td rowspan="1" colspan="1">C14—C15—C16—C17</td>
<td rowspan="1" colspan="1">−175.7 (2)</td>
<td rowspan="1" colspan="1">C57—C58—C59—C54</td>
<td rowspan="1" colspan="1">−0.2 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1">C47—C15—C16—C17</td>
<td rowspan="1" colspan="1">2.1 (3)</td>
<td rowspan="1" colspan="1">C55—C54—C59—C58</td>
<td rowspan="1" colspan="1">−0.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C16—C17—C18</td>
<td rowspan="1" colspan="1">1.3 (2)</td>
<td rowspan="1" colspan="1">C53—C54—C59—C58</td>
<td rowspan="1" colspan="1">176.2 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C15—C16—C17—C18</td>
<td rowspan="1" colspan="1">−179.7 (2)</td>
<td rowspan="1" colspan="1">C1—C20—C60—C65</td>
<td rowspan="1" colspan="1">66.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—C17—C18—C19</td>
<td rowspan="1" colspan="1">−0.9 (3)</td>
<td rowspan="1" colspan="1">C19—C20—C60—C65</td>
<td rowspan="1" colspan="1">−114.4 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—N4—C19—C20</td>
<td rowspan="1" colspan="1">−179.2 (2)</td>
<td rowspan="1" colspan="1">C1—C20—C60—C61</td>
<td rowspan="1" colspan="1">−113.3 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N4—C19—C20</td>
<td rowspan="1" colspan="1">−5.3 (3)</td>
<td rowspan="1" colspan="1">C19—C20—C60—C61</td>
<td rowspan="1" colspan="1">65.7 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C16—N4—C19—C18</td>
<td rowspan="1" colspan="1">0.6 (2)</td>
<td rowspan="1" colspan="1">C65—C60—C61—C62</td>
<td rowspan="1" colspan="1">1.4 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">Zn—N4—C19—C18</td>
<td rowspan="1" colspan="1">174.52 (14)</td>
<td rowspan="1" colspan="1">C20—C60—C61—C62</td>
<td rowspan="1" colspan="1">−178.7 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18—C19—N4</td>
<td rowspan="1" colspan="1">0.2 (3)</td>
<td rowspan="1" colspan="1">C60—C61—C62—C63</td>
<td rowspan="1" colspan="1">−1.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C17—C18—C19—C20</td>
<td rowspan="1" colspan="1">180.0 (2)</td>
<td rowspan="1" colspan="1">C61—C62—C63—C64</td>
<td rowspan="1" colspan="1">−0.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C1—C20—C19</td>
<td rowspan="1" colspan="1">−1.6 (3)</td>
<td rowspan="1" colspan="1">C61—C62—C63—O7</td>
<td rowspan="1" colspan="1">−176.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C1—C20—C19</td>
<td rowspan="1" colspan="1">−177.7 (2)</td>
<td rowspan="1" colspan="1">C66—O7—C63—C62</td>
<td rowspan="1" colspan="1">−103.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N1—C1—C20—C60</td>
<td rowspan="1" colspan="1">177.30 (19)</td>
<td rowspan="1" colspan="1">C66—O7—C63—C64</td>
<td rowspan="1" colspan="1">80.5 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C2—C1—C20—C60</td>
<td rowspan="1" colspan="1">1.2 (3)</td>
<td rowspan="1" colspan="1">C62—C63—C64—C65</td>
<td rowspan="1" colspan="1">1.0 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C19—C20—C1</td>
<td rowspan="1" colspan="1">−3.2 (3)</td>
<td rowspan="1" colspan="1">O7—C63—C64—C65</td>
<td rowspan="1" colspan="1">177.4 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—C19—C20—C1</td>
<td rowspan="1" colspan="1">177.0 (2)</td>
<td rowspan="1" colspan="1">C61—C60—C65—C64</td>
<td rowspan="1" colspan="1">−0.5 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">N4—C19—C20—C60</td>
<td rowspan="1" colspan="1">177.90 (19)</td>
<td rowspan="1" colspan="1">C20—C60—C65—C64</td>
<td rowspan="1" colspan="1">179.6 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C18—C19—C20—C60</td>
<td rowspan="1" colspan="1">−1.9 (3)</td>
<td rowspan="1" colspan="1">C63—C64—C65—C60</td>
<td rowspan="1" colspan="1">−0.7 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5—C21—C22</td>
<td rowspan="1" colspan="1">89.9 (3)</td>
<td rowspan="1" colspan="1">C63—O7—C66—O8</td>
<td rowspan="1" colspan="1">0.5 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—C5—C21—C22</td>
<td rowspan="1" colspan="1">−87.3 (3)</td>
<td rowspan="1" colspan="1">C63—O7—C66—C67</td>
<td rowspan="1" colspan="1">−179.2 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C4—C5—C21—C26</td>
<td rowspan="1" colspan="1">−92.9 (3)</td>
<td rowspan="1" colspan="1">O8—C66—C67—C72</td>
<td rowspan="1" colspan="1">178.3 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C6—C5—C21—C26</td>
<td rowspan="1" colspan="1">89.9 (3)</td>
<td rowspan="1" colspan="1">O7—C66—C67—C72</td>
<td rowspan="1" colspan="1">−2.1 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C26—C21—C22—C23</td>
<td rowspan="1" colspan="1">−2.5 (4)</td>
<td rowspan="1" colspan="1">O8—C66—C67—C68</td>
<td rowspan="1" colspan="1">−1.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5—C21—C22—C23</td>
<td rowspan="1" colspan="1">174.7 (2)</td>
<td rowspan="1" colspan="1">O7—C66—C67—C68</td>
<td rowspan="1" colspan="1">178.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C21—C22—C23—C24</td>
<td rowspan="1" colspan="1">0.7 (4)</td>
<td rowspan="1" colspan="1">C72—C67—C68—C69</td>
<td rowspan="1" colspan="1">0.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—C23—C24—C25</td>
<td rowspan="1" colspan="1">1.5 (4)</td>
<td rowspan="1" colspan="1">C66—C67—C68—C69</td>
<td rowspan="1" colspan="1">179.5 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—C23—C24—O1</td>
<td rowspan="1" colspan="1">178.2 (2)</td>
<td rowspan="1" colspan="1">C67—C68—C69—C70</td>
<td rowspan="1" colspan="1">0.7 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—O1—C24—C25</td>
<td rowspan="1" colspan="1">−83.3 (3)</td>
<td rowspan="1" colspan="1">C68—C69—C70—C71</td>
<td rowspan="1" colspan="1">−1.2 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C27—O1—C24—C23</td>
<td rowspan="1" colspan="1">99.8 (3)</td>
<td rowspan="1" colspan="1">C69—C70—C71—C72</td>
<td rowspan="1" colspan="1">0.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C23—C24—C25—C26</td>
<td rowspan="1" colspan="1">−1.7 (4)</td>
<td rowspan="1" colspan="1">C68—C67—C72—C71</td>
<td rowspan="1" colspan="1">−0.4 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C24—C25—C26</td>
<td rowspan="1" colspan="1">−178.4 (2)</td>
<td rowspan="1" colspan="1">C66—C67—C72—C71</td>
<td rowspan="1" colspan="1">−179.8 (2)</td>
</tr>
<tr><td rowspan="1" colspan="1">C22—C21—C26—C25</td>
<td rowspan="1" colspan="1">2.3 (4)</td>
<td rowspan="1" colspan="1">C70—C71—C72—C67</td>
<td rowspan="1" colspan="1">−0.1 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C5—C21—C26—C25</td>
<td rowspan="1" colspan="1">−174.9 (2)</td>
<td rowspan="1" colspan="1">C76—N5—C73—C74</td>
<td rowspan="1" colspan="1">−50.0 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—C25—C26—C21</td>
<td rowspan="1" colspan="1">−0.2 (4)</td>
<td rowspan="1" colspan="1">Zn—N5—C73—C74</td>
<td rowspan="1" colspan="1">−175.47 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—O1—C27—O2</td>
<td rowspan="1" colspan="1">−5.3 (4)</td>
<td rowspan="1" colspan="1">C75—N6—C74—C73</td>
<td rowspan="1" colspan="1">−64.2 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">C24—O1—C27—C28</td>
<td rowspan="1" colspan="1">174.4 (2)</td>
<td rowspan="1" colspan="1">N5—C73—C74—N6</td>
<td rowspan="1" colspan="1">57.7 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—C27—C28—C29</td>
<td rowspan="1" colspan="1">−162.1 (3)</td>
<td rowspan="1" colspan="1">C74—N6—C75—C76</td>
<td rowspan="1" colspan="1">63.9 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C27—C28—C29</td>
<td rowspan="1" colspan="1">18.2 (3)</td>
<td rowspan="1" colspan="1">C73—N5—C76—C75</td>
<td rowspan="1" colspan="1">48.7 (4)</td>
</tr>
<tr><td rowspan="1" colspan="1">O2—C27—C28—C33</td>
<td rowspan="1" colspan="1">18.6 (4)</td>
<td rowspan="1" colspan="1">Zn—N5—C76—C75</td>
<td rowspan="1" colspan="1">174.6 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">O1—C27—C28—C33</td>
<td rowspan="1" colspan="1">−161.1 (2)</td>
<td rowspan="1" colspan="1">N6—C75—C76—N5</td>
<td rowspan="1" colspan="1">−56.3 (5)</td>
</tr>
</table>
</table-wrap>
</sec>
<sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, º)</title>
<p><italic>Cg</italic>
3 is the centroid of the N3/C11–C14 pyrrole ring. <italic>Cg</italic>10,
<italic>Cg</italic>11,
<italic>Cg</italic>12,
<italic>Cg</italic>15 and
<italic>Cg</italic>17 are the centroids of the C21–C26, C28–C33, C34–C39, C54–59 and
C67–C72
phenyl rings respectively.</p>
<table-wrap position="anchor" id="d1e6895"><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">N5—H5···O4<sup>i</sup>
</td>
<td rowspan="1" colspan="1">0.80 (3)</td>
<td rowspan="1" colspan="1">2.15 (3)</td>
<td rowspan="1" colspan="1">2.904 (3)</td>
<td rowspan="1" colspan="1">158 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">N6—H6···N1<sup>ii</sup>
</td>
<td rowspan="1" colspan="1">0.96 (2)</td>
<td rowspan="1" colspan="1">2.57 (3)</td>
<td rowspan="1" colspan="1">3.434 (4)</td>
<td rowspan="1" colspan="1">151 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1">C51—H51···O8<sup>iii</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.47</td>
<td rowspan="1" colspan="1">3.284 (4)</td>
<td rowspan="1" colspan="1">144</td>
</tr>
<tr><td rowspan="1" colspan="1">C62—H62···O6<sup>iv</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.45</td>
<td rowspan="1" colspan="1">3.339 (4)</td>
<td rowspan="1" colspan="1">155</td>
</tr>
<tr><td rowspan="1" colspan="1">C39—H39···<italic>Cg</italic>
3<sup>v</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.81</td>
<td rowspan="1" colspan="1">3.392 (2)</td>
<td rowspan="1" colspan="1">120</td>
</tr>
<tr><td rowspan="1" colspan="1">C48—H48···<italic>Cg</italic>
12<sup>v</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.88</td>
<td rowspan="1" colspan="1">3.755 (3)</td>
<td rowspan="1" colspan="1">153</td>
</tr>
<tr><td rowspan="1" colspan="1">C49—H49···<italic>Cg</italic>
17<sup>iv</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.90</td>
<td rowspan="1" colspan="1">3.804 (3)</td>
<td rowspan="1" colspan="1">160</td>
</tr>
<tr><td rowspan="1" colspan="1">C56—H56···<italic>Cg</italic>
10<sup>vi</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.78</td>
<td rowspan="1" colspan="1">3.623 (3)</td>
<td rowspan="1" colspan="1">147</td>
</tr>
<tr><td rowspan="1" colspan="1">C64—H64···<italic>Cg</italic>
15<sup>iii</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.64</td>
<td rowspan="1" colspan="1">3.566 (3)</td>
<td rowspan="1" colspan="1">164</td>
</tr>
<tr><td rowspan="1" colspan="1">C69—H69···<italic>Cg</italic>
11<sup>vii</sup>
</td>
<td rowspan="1" colspan="1">0.95</td>
<td rowspan="1" colspan="1">2.95</td>
<td rowspan="1" colspan="1">3.672 (3)</td>
<td rowspan="1" colspan="1">134</td>
</tr>
</table>
</table-wrap>
<p>Symmetry codes: (i) −<italic>x</italic>
+1, −<italic>y</italic>
+1, −<italic>z</italic>
+1; (ii) <italic>x</italic>
+1, <italic>y</italic>
, <italic>z</italic>
; (iii) −<italic>x</italic>
+1, −<italic>y</italic>
+2, −<italic>z</italic>
+1; (iv) −<italic>x</italic>
, −<italic>y</italic>
+2, −<italic>z</italic>
+1; (v) −<italic>x</italic>
, −<italic>y</italic>
+1, −<italic>z</italic>
+1; (vi) <italic>x</italic>
, <italic>y</italic>
, <italic>z</italic>
−1; (vii) −<italic>x</italic>
+1, −<italic>y</italic>
+2, −<italic>z</italic>
+2.</p>
</sec>
</app>
</app-group>
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<floats-group><fig id="fig1" position="float"><label>Figure 1</label>
<caption><p>An <italic>ORTEP</italic>
 view of the molecular structure of the [Zn(TPBP)(pipz)] complex with the atom-numbering scheme. Displacement ellipsoids are drawn at the 40% probability level. H atoms have been omitted for clarity.</p>
</caption>
<graphic xlink:href="e-72-00937-fig1"></graphic>
</fig>
<fig id="fig2" position="float"><label>Figure 2</label>
<caption><p>Formal diagram of the porphyrinate core illustrating the displacements of each atom from the 24-atom core plane in units of 0.01 Å.</p>
</caption>
<graphic xlink:href="e-72-00937-fig2"></graphic>
</fig>
<fig id="fig3" position="float"><label>Figure 3</label>
<caption><p>The packing of (I)<xref ref-type="chem" rid="scheme1"></xref>
 viewed along [010] showing the two-dimensional superstructure formed by pairs of layers.</p>
</caption>
<graphic xlink:href="e-72-00937-fig3"></graphic>
</fig>
<fig id="fig4" position="float"><label>Figure 4</label>
<caption><p>The packing of (I)<xref ref-type="chem" rid="scheme1"></xref>
 viewed along [100] showing the intermolecular interactions between two layers and between two pairs of layers.</p>
</caption>
<graphic xlink:href="e-72-00937-fig4"></graphic>
</fig>
<fig id="fig5" position="float"><label>Figure 5</label>
<caption><p>A drawing of (I)<xref ref-type="chem" rid="scheme1"></xref>
 viewed along the [100] direction showing the intermolecular interactions between two layers and between two pairs of layers.</p>
</caption>
<graphic xlink:href="e-72-00937-fig5"></graphic>
</fig>
<fig id="fig6" position="float"><label>Figure 6</label>
<caption><p>Solid UV–visible spectra of the [Zn(TPBP)] starting material (black) and complex (I)<xref ref-type="chem" rid="scheme1"></xref>
 (red).</p>
</caption>
<graphic xlink:href="e-72-00937-fig6"></graphic>
</fig>
<fig id="fig7" position="float"><label>Figure 7</label>
<caption><p>Packing diagram of (I)<xref ref-type="chem" rid="scheme1"></xref>
 showing the voids in the structure represented in orange. Voids were calculated for a ball radius of 1.2 Å and a grid of 0.7 Å.</p>
</caption>
<graphic xlink:href="e-72-00937-fig7"></graphic>
</fig>
<table-wrap id="table1" position="float"><label>Table 1</label>
<caption><title>Hydrogen-bond geometry (Å, °)</title>
<p><italic>Cg</italic>
3 is the centroid of the N3/C11–C14 pyrrole ring. <italic>Cg</italic>
10, <italic>Cg</italic>
11, <italic>Cg</italic>
12, <italic>Cg</italic>
15 and <italic>Cg</italic>
17 are the centroids of the C21–C26, C28–C33, C34–C39, C54–59 and C67–C72 phenyl 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 rowspan="1" colspan="1" align="left" valign="top">N5—H5⋯O4<sup>i</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.80 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.15 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.904 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">158 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">N6—H6⋯N1<sup>ii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.96 (2)</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.57 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.434 (4)</td>
<td rowspan="1" colspan="1" align="left" valign="top">151 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C51—H51⋯O8<sup>iii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.47</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.284 (4)</td>
<td rowspan="1" colspan="1" align="left" valign="top">144</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C62—H62⋯O6<sup>iv</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.45</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.339 (4)</td>
<td rowspan="1" colspan="1" align="left" valign="top">155</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C39—H39⋯<italic>Cg</italic>
3<sup>v</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.81</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.392 (2)</td>
<td rowspan="1" colspan="1" align="left" valign="top">120</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C48—H48⋯<italic>Cg</italic>
12<sup>v</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.88</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.755 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">153</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C49—H49⋯<italic>Cg</italic>
17<sup>iv</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.90</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.804 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">160</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C56—H56⋯<italic>Cg</italic>
10<sup>vi</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.78</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.623 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">147</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C64—H64⋯<italic>Cg</italic>
15<sup>iii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.64</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.566 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">164</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">C69—H69⋯<italic>Cg</italic>
11<sup>vii</sup>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">2.95</td>
<td rowspan="1" colspan="1" align="left" valign="top">3.672 (3)</td>
<td rowspan="1" colspan="1" align="left" valign="top">134</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-72-00937-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (ii) <inline-formula><inline-graphic xlink:href="e-72-00937-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iii) <inline-formula><inline-graphic xlink:href="e-72-00937-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (iv) <inline-formula><inline-graphic xlink:href="e-72-00937-efi6.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (v) <inline-formula><inline-graphic xlink:href="e-72-00937-efi7.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (vi) <inline-formula><inline-graphic xlink:href="e-72-00937-efi8.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
; (vii) <inline-formula><inline-graphic xlink:href="e-72-00937-efi9.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
.</p>
</table-wrap-foot>
</table-wrap>
<table-wrap id="table2" position="float"><label>Table 2</label>
<caption><title>Experimental details</title>
</caption>
<table frame="hsides" rules="groups"><tbody valign="top"><tr><td rowspan="1" colspan="2" align="left" valign="top">Crystal data</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Chemical formula</td>
<td rowspan="1" colspan="1" align="left" valign="top">[Zn(C<sub>72</sub>
H<sub>44</sub>
N<sub>4</sub>
O<sub>8</sub>
)(C<sub>4</sub>
H<sub>10</sub>
N<sub>2</sub>
)]</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>M</italic>
<sub>r</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">1244.62</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal system, space group</td>
<td rowspan="1" colspan="1" align="left" valign="top">Triclinic, <italic>P</italic>
<inline-formula><inline-graphic xlink:href="e-72-00937-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic>
</inline-formula>
</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Temperature (K)</td>
<td rowspan="1" colspan="1" align="left" valign="top">150</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>a</italic>
, <italic>b</italic>
, <italic>c</italic>
 (Å)</td>
<td rowspan="1" colspan="1" align="left" valign="top">8.4332 (8), 20.1895 (17), 21.0104 (19)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">α, β, γ (°)</td>
<td rowspan="1" colspan="1" align="left" valign="top">102.338 (3), 100.996 (3), 98.412 (3)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>V</italic>
 (Å<sup>3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">3364.6 (5)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>Z</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">2</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Radiation type</td>
<td rowspan="1" colspan="1" align="left" valign="top">Mo <italic>K</italic>
α</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">μ (mm<sup>−1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.43</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal size (mm)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.30 × 0.20 × 0.16</td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top">Data collection</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Diffractometer</td>
<td rowspan="1" colspan="1" align="left" valign="top">D8 VENTURE Bruker AXS</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Absorption correction</td>
<td rowspan="1" colspan="1" align="left" valign="top">Multi-scan (<italic>SADABS</italic>
; Bruker, 2015<xref ref-type="bibr" rid="bb2"> ▸</xref>
)</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>T</italic>
<sub>min</sub>
, <italic>T</italic>
<sub>max</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.684, 0.746</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of measured, independent and observed [<italic>I</italic>
 > 2σ(<italic>I</italic>
)] reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">60504, 13198, 11791</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic>
<sub>int</sub>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.028</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">(sin θ/λ)<sub>max</sub>
 (Å<sup>−1</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.617</td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top"> </td>
</tr>
<tr><td rowspan="1" colspan="2" align="left" valign="top">Refinement</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic>
[<italic>F</italic>
<sup>2</sup>
 > 2σ(<italic>F</italic>
<sup>2</sup>
)], <italic>wR</italic>
(<italic>F</italic>
<sup>2</sup>
), <italic>S</italic>
</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.043, 0.119, 1.05</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of reflections</td>
<td rowspan="1" colspan="1" align="left" valign="top">13198</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of parameters</td>
<td rowspan="1" colspan="1" align="left" valign="top">827</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">No. of restraints</td>
<td rowspan="1" colspan="1" align="left" valign="top">43</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">H-atom treatment</td>
<td rowspan="1" colspan="1" align="left" valign="top">H atoms treated by a mixture of independent and constrained refinement</td>
</tr>
<tr><td rowspan="1" colspan="1" align="left" valign="top">Δρ<sub>max</sub>
, Δρ<sub>min</sub>
 (e Å<sup>−3</sup>
)</td>
<td rowspan="1" colspan="1" align="left" valign="top">0.63, −0.54</td>
</tr>
</tbody>
</table>
<table-wrap-foot><p>Computer programs: <italic>APEX3</italic>
 and <italic>SAINT</italic>
 (Bruker, 2015<xref ref-type="bibr" rid="bb2"> ▸</xref>
), <italic>SIR2004</italic>
 (Burla <italic>et al.</italic>
, 2005<xref ref-type="bibr" rid="bb3"> ▸</xref>
), <italic>SHELXL2015</italic>
 (Sheldrick, 2015<xref ref-type="bibr" rid="bb19"> ▸</xref>
), <italic>ORTEPIII</italic>
 (Burnett & Johnson, 1996<xref ref-type="bibr" rid="bb4"> ▸</xref>
), <italic>ORTEP-3 for Windows</italic>
 and <italic>WinGX</italic>
 publication routines (Farrugia, 2012<xref ref-type="bibr" rid="bb8"> ▸</xref>
).</p>
</table-wrap-foot>
</table-wrap>
</floats-group>
</pmc>
</record>

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Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra­kis­[4-(benzo­yloxy)phen­yl]porphyrinato-κ4N}zinc

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetra­kis­[4-(benzo­yloxy)phen­yl]porphyrinato-κ4N}zinc

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Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc

Crystal structure of an unknown solvate of (piperazine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ4N}zinc