4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κN]cobaltate(II)
Identifieur interne : 000367 ( Pmc/Corpus ); précédent : 000366; suivant : 0003684-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κN]cobaltate(II)
Auteurs : Fatiha Guenifa ; Nasreddine Hadjadj ; Ouahida Zeghouan ; Lamia Bendjeddou ; Hocine MerazigSource :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2013.
Abstract
In the anion of the title compound, (C7H11N2)[CoCl3(C7H10N2)], the CoII ion is coordinated by one N atom from a 4-(dimethylamino)pyridine (DMAP) ligand and three Cl atoms, forming a CoNCl3 polyhedron with a distorted tetrahedral geometry. In the crystal, cations and anions are linked
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DOI: 10.1107/S1600536813015602
PubMed: 24046560
PubMed Central: 3772417
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<italic>N</italic>]cobaltate(II)</title><author><name sortKey="Guenifa, Fatiha" sort="Guenifa, Fatiha" uniqKey="Guenifa F" first="Fatiha" last="Guenifa">Fatiha Guenifa</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Hadjadj, Nasreddine" sort="Hadjadj, Nasreddine" uniqKey="Hadjadj N" first="Nasreddine" last="Hadjadj">Nasreddine Hadjadj</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Zeghouan, Ouahida" sort="Zeghouan, Ouahida" uniqKey="Zeghouan O" first="Ouahida" last="Zeghouan">Ouahida Zeghouan</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Bendjeddou, Lamia" sort="Bendjeddou, Lamia" uniqKey="Bendjeddou L" first="Lamia" last="Bendjeddou">Lamia Bendjeddou</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">24046560</idno><idno type="pmc">3772417</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772417</idno><idno type="RBID">PMC:3772417</idno><idno type="doi">10.1107/S1600536813015602</idno><date when="2013">2013</date><idno type="wicri:Area/Pmc/Corpus">000367</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000367</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<italic>N</italic>]cobaltate(II)</title><author><name sortKey="Guenifa, Fatiha" sort="Guenifa, Fatiha" uniqKey="Guenifa F" first="Fatiha" last="Guenifa">Fatiha Guenifa</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Hadjadj, Nasreddine" sort="Hadjadj, Nasreddine" uniqKey="Hadjadj N" first="Nasreddine" last="Hadjadj">Nasreddine Hadjadj</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Zeghouan, Ouahida" sort="Zeghouan, Ouahida" uniqKey="Zeghouan O" first="Ouahida" last="Zeghouan">Ouahida Zeghouan</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Bendjeddou, Lamia" sort="Bendjeddou, Lamia" uniqKey="Bendjeddou L" first="Lamia" last="Bendjeddou">Lamia Bendjeddou</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author><author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name><affiliation><nlm:aff id="a">Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></nlm:aff></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2013">2013</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the anion of the title compound, (C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)[CoCl<sub>3</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)], the Co<sup>II</sup> ion is coordinated by one N atom from a 4-(dimethylamino)pyridine (DMAP) ligand and three Cl atoms, forming a CoNCl<sub>3</sub> polyhedron with a distorted tetrahedral geometry. In the crystal, cations and anions are linked <italic>via</italic> weak N—H⋯Cl and C—H⋯Cl hydrogen bonds. Double layers of complex anions stack along the <italic>b</italic>- axis direction, which alternate with double layers of 4-(dimethylamino)-pyridinium cations.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct></listBibl></div1></back></TEI><pmc article-type="research-article"><pmc-dir>properties open_access</pmc-dir>
<front><journal-meta><journal-id journal-id-type="nlm-ta">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="iso-abbrev">Acta Crystallogr Sect E Struct Rep Online</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Structure Reports Online</journal-title></journal-title-group><issn pub-type="epub">1600-5368</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">24046560</article-id><article-id pub-id-type="pmc">3772417</article-id><article-id pub-id-type="publisher-id">vm2195</article-id><article-id pub-id-type="doi">10.1107/S1600536813015602</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536813015602</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title>4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<italic>N</italic>]cobaltate(II)</article-title><alt-title><italic>(C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)[CoCl<sub>3</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)]</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Guenifa</surname><given-names>Fatiha</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Hadjadj</surname><given-names>Nasreddine</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Zeghouan</surname><given-names>Ouahida</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Bendjeddou</surname><given-names>Lamia</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>Merazig</surname><given-names>Hocine</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><aff id="a"><label>a</label>Unité de Recherche Chimie de l’Environnement et Moléculaire Structurale, ’CHEMS’, Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Constantine I, 25000 Constantine,<country>Algeria</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>Lamiabendjeddou@yahoo.fr</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>7</month><year>2013</year></pub-date><pub-date pub-type="epub"><day>12</day><month>6</month><year>2013</year></pub-date><pub-date pub-type="pmc-release"><day>12</day><month>6</month><year>2013</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>69</volume><issue>Pt 7</issue><issue-id pub-id-type="publisher-id">e130700</issue-id><fpage>m379</fpage><lpage>m380</lpage><history><date date-type="received"><day>21</day><month>5</month><year>2013</year></date><date date-type="accepted"><day>04</day><month>6</month><year>2013</year></date></history><permissions><copyright-statement>© Guenifa et al. 2013</copyright-statement><copyright-year>2013</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/S1600536813015602">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the anion of the title compound, (C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)[CoCl<sub>3</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)], the Co<sup>II</sup> ion is coordinated by one N atom from a 4-(dimethylamino)pyridine (DMAP) ligand and three Cl atoms, forming a CoNCl<sub>3</sub> polyhedron with a distorted tetrahedral geometry. In the crystal, cations and anions are linked <italic>via</italic> weak N—H⋯Cl and C—H⋯Cl hydrogen bonds. Double layers of complex anions stack along the <italic>b</italic>- axis direction, which alternate with double layers of 4-(dimethylamino)-pyridinium cations.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature
</title><p>For applications and properties of DMAP, see: Araki <italic>et al.</italic> (2005<xref ref-type="bibr" rid="bb2"> ▶</xref>); Satgé <italic>et al.</italic> (2004<xref ref-type="bibr" rid="bb10"> ▶</xref>). For Co—N and Co—Cl bond lengths and angles in related compounds, see: Akbarzadeh Torbati <italic>et al.</italic> (2010<xref ref-type="bibr" rid="bb1"> ▶</xref>); Baker <italic>et al.</italic> (1988<xref ref-type="bibr" rid="bb3"> ▶</xref>). For hysrogen-bond motifs, see: Bernstein <italic>et al.</italic> (1995<xref ref-type="bibr" rid="bb4"> ▶</xref>);<chem-struct id="scheme1"><graphic xlink:href="e-69-0m379-scheme1.jpg" position="float"></graphic></chem-struct></p></sec><sec id="sec2"><title>Experimental
</title><sec id="sec2.1"><title></title><sec id="sec2.1.1"><title>Crystal data
</title><p><list list-type="simple" id="l1"><list-item><p>(C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)[CoCl<sub>3</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)]</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 410.63</p></list-item><list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-69-0m379-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 7.7468 (2) Å</p></list-item><list-item><p><italic>b</italic> = 8.4036 (2) Å</p></list-item><list-item><p><italic>c</italic> = 15.4765 (4) Å</p></list-item><list-item><p>α = 79.732 (2)°</p></list-item><list-item><p>β = 89.983 (2)°</p></list-item><list-item><p>γ = 67.889 (2)°</p></list-item><list-item><p><italic>V</italic> = 916.02 (4) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 2</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 1.38 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 293 K</p></list-item><list-item><p>0.1 × 0.09 × 0.08 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection
</title><p><list list-type="simple" id="l2"><list-item><p>Bruker APEXII diffractometer</p></list-item><list-item><p>7932 measured reflections</p></list-item><list-item><p>3230 independent reflections</p></list-item><list-item><p>2982 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.012</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement
</title><p><list list-type="simple" id="l3"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.021</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.054</p></list-item><list-item><p><italic>S</italic> = 1.04</p></list-item><list-item><p>3230 reflections</p></list-item><list-item><p>199 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.31 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.24 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e542"><title></title><p>Data collection: <italic>APEX2</italic> (Bruker, 2006<xref ref-type="bibr" rid="bb5"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 2006<xref ref-type="bibr" rid="bb5"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>SIR2002</italic> (Burla <italic>et al.</italic>, 2005<xref ref-type="bibr" rid="bb6"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb11"> ▶</xref>); molecular graphics: <italic>ORTEP-3 for Windows</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb7"> ▶</xref>); software used to prepare material for publication: <italic>WinGX</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb7"> ▶</xref>), <italic>Mercury</italic> (Macrae <italic>et al.</italic>, 2006<xref ref-type="bibr" rid="bb8"> ▶</xref>) and <italic>POVRay</italic> (Persistence of Vision Team, 2004<xref ref-type="bibr" rid="bb9"> ▶</xref>).</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="loca-data"><p>Crystal structure: contains datablock(s) global, I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813015602/vm2195sup1.cif">10.1107/S1600536813015602/vm2195sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-69-0m379-sup1.cif" xlink:type="simple" id="d35e148" position="anchor"></media></supplementary-material><supplementary-material content-type="loca-data"><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813015602/vm2195Isup2.hkl">10.1107/S1600536813015602/vm2195Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-69-0m379-Isup2.hkl" xlink:type="simple" id="d35e155" position="anchor"></media></supplementary-material><supplementary-material content-type="local-data"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?vm2195&file=vm2195sup0.html&mime=text/html"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?vm2195sup1&Qmime=cif">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?vm2195&checkcif=yes">checkCIF report</ext-link></p></supplementary-material></sec></body><back><fn-group><fn id="fnu1"><p>Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsup?vm2195">VM2195</ext-link>).</p></fn></fn-group><ack><p>This work was supported by the Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université de Constantine 1, Algeria. Thanks are due to MESRS and ATRST (Ministère de l’Enseignement Supérieur et de la Recherche Scientifique et l’Agence Thématique de Recherche en Sciences et Technologie, Algeria) <italic>via</italic> the PNR program for financial support.</p></ack><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>The N-heteroaromatic ligand 4-(dimethylamino) pyridine (DMAP) finds use as a
homogeneous catalyst in cellulose acylation in the synthesis of biodegradable
plastics (Satgé <italic>et al.</italic>, 2004). DMAP is also known to form
transition
metal complexes which exhibit luminescence properties (Araki <italic>et al.</italic>,
2005). We report here the synthesis and crystal structure of such a
cobalt(II)
complex with 4-(dimethylamino)pyridine.</p><p>The title compound (I) consists of one complex anion
[CoCl<sub>3</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)]<sup>-</sup> and one 4-(dimethylamino)-pyridinium cation
(Figure 1). In the structure of (I), each cobalt(II) is coordinated by one N
atom from the DMAP ligand and three Cl atoms, forming a distorted tetrahedral
coordination geometry. The Co—N and Co—Cl bond lengths and angles (Table
1) are within normal range as observed in:
dichloro(6,6'-dimethyl-2,2'-bipyridyl)cobalt(II) hemibenzene solvate (Baker
<italic>et al.</italic>, 1988) and dichlorido(6,6'-dimethyl-2,
2'-bipyridine-κ<sup>2</sup>N,N')cobalt(II) (Akbarzadeh Torbati <italic>et al.</italic>,
2010) .</p><p>The crystal structure of the title compound (I) is formed by double layers of
complex anions [CoCl<sub>3</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)]<sup>-</sup> stacking along the b axis, at
<italic>c</italic> = 0 and 1, which alternate with double layers of
4-(dimethylamino)-pyridinium cations placed along the [010] direction at
<italic>c</italic> = 1/2 (Figure 2).
The crystal packing is consolidated by two
N—H···Cl and one C—H···Cl hydrogen bonds established between cations and
anions, forming rings in two-dimensional network which can be described by the
graph-set motif R<sup>1</sup><sub>2</sub>(5) and R<sup>2</sup><sub>1</sub> (4) (Bernstein <italic>et al.</italic>,
1995)
(Figure 3).</p></sec><sec id="experimental"><title>Experimental </title><p>A mixture of NaN<sub>3</sub> and CoCl<sub>2</sub>.6H<sub>2</sub>O in methanol was stirred for half an
hour, then 4-dimethylaminopyridine was added to the solution and the reaction
continued to stir for one hour. After filtration, the pink filtrate was
allowed to stand at room temperature. Blue crystals were obtained by slow
evaporation.</p></sec><sec id="refinement"><title>Refinement </title><p>The H atoms were placed at calculated positions with C—H = 0.93 and 0.96 Å,
for aromatic and methyl H atoms, respectively, with <italic>U</italic><sub>iso</sub>(H) =
1.2<italic>U</italic><sub>eq</sub>(C) for aromatic H atoms and 1.5<italic>U</italic><sub>eq</sub>(C) for methyl H
atoms.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>The asymmetric unit of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are represented as spheres of arbitrary radii.</p></caption><graphic xlink:href="e-69-0m379-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>View of the crystal structure of (I), showing the alternating double layers of cations and anions along the b axis.</p></caption><graphic xlink:href="e-69-0m379-fig2"></graphic></fig><fig id="Fap3"><label>Fig. 3.</label><caption><p>Part of the crystal structure, showing the aggregation of R12(5) and R21 (4) hydrogen-bonding motifs. [Symmetry codes: (ii) 1-x, 1-y, 1-z; (iii) -1+x, 1+y, z]</p></caption><graphic xlink:href="e-69-0m379-fig3"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e234"><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">(C<sub>7</sub>H<sub>11</sub>N<sub>2</sub>)[CoCl<sub>3</sub>(C<sub>7</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> = 410.63</td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 422</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> = 1.489 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Hall symbol: -P 1</td><td rowspan="1" colspan="1">Mo <italic>K</italic>α radiation, λ = 0.71073 Å</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 7.7468 (2) Å</td><td rowspan="1" colspan="1">Cell parameters from 3230 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 8.4036 (2) Å</td><td rowspan="1" colspan="1">θ = 2.7–25.0°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 15.4765 (4) Å</td><td rowspan="1" colspan="1">µ = 1.38 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">α = 79.732 (2)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 293 K</td></tr><tr><td rowspan="1" colspan="1">β = 89.983 (2)°</td><td rowspan="1" colspan="1">Prism, blue</td></tr><tr><td rowspan="1" colspan="1">γ = 67.889 (2)°</td><td rowspan="1" colspan="1">0.1 × 0.09 × 0.08 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 916.02 (4) Å<sup>3</sup></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e381"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">Bruker APEXII diffractometer</td><td rowspan="1" colspan="1">2982 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">Radiation source: fine-focus sealed tube</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.012</td></tr><tr><td rowspan="1" colspan="1">Graphite monochromator</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 25.0°, θ<sub>min</sub> = 2.7°</td></tr><tr><td rowspan="1" colspan="1">φ scans</td><td rowspan="1" colspan="1"><italic>h</italic> = −9→9</td></tr><tr><td rowspan="1" colspan="1">7932 measured reflections</td><td rowspan="1" colspan="1"><italic>k</italic> = −9→9</td></tr><tr><td rowspan="1" colspan="1">3230 independent reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −18→18</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e476"><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">0 restraints</td></tr><tr><td rowspan="1" colspan="1">Least-squares matrix: full</td><td rowspan="1" colspan="1">H-atom parameters constrained</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.021</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0266<italic>P</italic>)<sup>2</sup> + 0.4298<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>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.054</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.002</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.04</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.31 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">3230 reflections</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.24 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">199 parameters</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e628"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. Bond distances, angles etc. have been calculated using the
rounded fractional coordinates. All su's are estimated
from the variances of the (full) variance-covariance matrix.
The cell esds are taken into account in the estimation of
distances, angles and torsion angles</td></tr><tr><td rowspan="1" colspan="1">Refinement. Refinement of <italic>F</italic><sup>2</sup> against ALL reflections. The weighted <italic>R</italic>-factor
<italic>wR</italic> and goodness of fit <italic>S</italic> are based on <italic>F</italic><sup>2</sup>, conventional
<italic>R</italic>-factors <italic>R</italic> are based on <italic>F</italic>, with <italic>F</italic> set to zero for
negative <italic>F</italic><sup>2</sup>. The threshold expression of <italic>F</italic><sup>2</sup> >
σ(<italic>F</italic><sup>2</sup>) is used only for calculating <italic>R</italic>-factors(gt) <italic>etc</italic>.
and is not relevant to the choice of reflections for refinement.
<italic>R</italic>-factors based on <italic>F</italic><sup>2</sup> are statistically about twice as large
as those based on <italic>F</italic>, and <italic>R</italic>- factors based on ALL data will be
even larger.</td></tr></table></table-wrap></sec><sec id="tablewrapcoords"><title>Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e727"><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">Co</td><td rowspan="1" colspan="1">0.97567 (3)</td><td rowspan="1" colspan="1">−0.05454 (3)</td><td rowspan="1" colspan="1">0.75509 (1)</td><td rowspan="1" colspan="1">0.0213 (1)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Cl1</td><td rowspan="1" colspan="1">1.17207 (6)</td><td rowspan="1" colspan="1">0.08718 (6)</td><td rowspan="1" colspan="1">0.73814 (3)</td><td rowspan="1" colspan="1">0.0306 (1)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Cl2</td><td rowspan="1" colspan="1">1.12085 (6)</td><td rowspan="1" colspan="1">−0.34664 (5)</td><td rowspan="1" colspan="1">0.80434 (3)</td><td rowspan="1" colspan="1">0.0341 (1)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Cl3</td><td rowspan="1" colspan="1">0.80521 (6)</td><td rowspan="1" colspan="1">−0.03086 (6)</td><td rowspan="1" colspan="1">0.63092 (3)</td><td rowspan="1" colspan="1">0.0309 (1)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.4028 (2)</td><td rowspan="1" colspan="1">0.28626 (19)</td><td rowspan="1" colspan="1">1.01267 (9)</td><td rowspan="1" colspan="1">0.0296 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.78837 (18)</td><td rowspan="1" colspan="1">0.06985 (17)</td><td rowspan="1" colspan="1">0.83537 (9)</td><td rowspan="1" colspan="1">0.0226 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.2121 (2)</td><td rowspan="1" colspan="1">0.2955 (3)</td><td rowspan="1" colspan="1">1.00244 (12)</td><td rowspan="1" colspan="1">0.0344 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.4620 (3)</td><td rowspan="1" colspan="1">0.3238 (3)</td><td rowspan="1" colspan="1">1.09356 (12)</td><td rowspan="1" colspan="1">0.0404 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.5268 (2)</td><td rowspan="1" colspan="1">0.2194 (2)</td><td rowspan="1" colspan="1">0.95499 (10)</td><td rowspan="1" colspan="1">0.0240 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.4763 (2)</td><td rowspan="1" colspan="1">0.1638 (2)</td><td rowspan="1" colspan="1">0.88186 (10)</td><td rowspan="1" colspan="1">0.0247 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.6070 (2)</td><td rowspan="1" colspan="1">0.0912 (2)</td><td rowspan="1" colspan="1">0.82633 (10)</td><td rowspan="1" colspan="1">0.0235 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.8363 (2)</td><td rowspan="1" colspan="1">0.1278 (2)</td><td rowspan="1" colspan="1">0.90386 (11)</td><td rowspan="1" colspan="1">0.0261 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.7166 (2)</td><td rowspan="1" colspan="1">0.1992 (2)</td><td rowspan="1" colspan="1">0.96373 (11)</td><td rowspan="1" colspan="1">0.0279 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.5958 (2)</td><td rowspan="1" colspan="1">0.6338 (2)</td><td rowspan="1" colspan="1">0.60387 (10)</td><td rowspan="1" colspan="1">0.0348 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.8714 (2)</td><td rowspan="1" colspan="1">0.4027 (2)</td><td rowspan="1" colspan="1">0.40501 (11)</td><td rowspan="1" colspan="1">0.0345 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.4455 (3)</td><td rowspan="1" colspan="1">0.8064 (3)</td><td rowspan="1" colspan="1">0.58671 (16)</td><td rowspan="1" colspan="1">0.0464 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.6493 (4)</td><td rowspan="1" colspan="1">0.5499 (4)</td><td rowspan="1" colspan="1">0.69593 (13)</td><td rowspan="1" colspan="1">0.0620 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.6871 (2)</td><td rowspan="1" colspan="1">0.5610 (2)</td><td rowspan="1" colspan="1">0.53913 (11)</td><td rowspan="1" colspan="1">0.0242 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.6388 (2)</td><td rowspan="1" colspan="1">0.6428 (2)</td><td rowspan="1" colspan="1">0.44901 (11)</td><td rowspan="1" colspan="1">0.0261 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.7323 (3)</td><td rowspan="1" colspan="1">0.5605 (3)</td><td rowspan="1" colspan="1">0.38523 (11)</td><td rowspan="1" colspan="1">0.0318 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.9237 (3)</td><td rowspan="1" colspan="1">0.3224 (2)</td><td rowspan="1" colspan="1">0.48886 (14)</td><td rowspan="1" colspan="1">0.0359 (6)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.8384 (2)</td><td rowspan="1" colspan="1">0.3958 (2)</td><td rowspan="1" colspan="1">0.55592 (12)</td><td rowspan="1" colspan="1">0.0309 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1A</td><td rowspan="1" colspan="1">0.14222</td><td rowspan="1" colspan="1">0.34572</td><td rowspan="1" colspan="1">1.04879</td><td rowspan="1" colspan="1">0.0515*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1B</td><td rowspan="1" colspan="1">0.21388</td><td rowspan="1" colspan="1">0.17984</td><td rowspan="1" colspan="1">1.00525</td><td rowspan="1" colspan="1">0.0515*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1C</td><td rowspan="1" colspan="1">0.15458</td><td rowspan="1" colspan="1">0.36701</td><td rowspan="1" colspan="1">0.94653</td><td rowspan="1" colspan="1">0.0515*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2A</td><td rowspan="1" colspan="1">0.35548</td><td rowspan="1" colspan="1">0.37006</td><td rowspan="1" colspan="1">1.12652</td><td rowspan="1" colspan="1">0.0605*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2B</td><td rowspan="1" colspan="1">0.51870</td><td rowspan="1" colspan="1">0.40810</td><td rowspan="1" colspan="1">1.07920</td><td rowspan="1" colspan="1">0.0605*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2C</td><td rowspan="1" colspan="1">0.55093</td><td rowspan="1" colspan="1">0.21800</td><td rowspan="1" colspan="1">1.12820</td><td rowspan="1" colspan="1">0.0605*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4A</td><td rowspan="1" colspan="1">0.35311</td><td rowspan="1" colspan="1">0.17666</td><td rowspan="1" colspan="1">0.87136</td><td rowspan="1" colspan="1">0.0296*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H5</td><td rowspan="1" colspan="1">0.56902</td><td rowspan="1" colspan="1">0.05397</td><td rowspan="1" colspan="1">0.77929</td><td rowspan="1" colspan="1">0.0281*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H6</td><td rowspan="1" colspan="1">0.95919</td><td rowspan="1" colspan="1">0.11843</td><td rowspan="1" colspan="1">0.91068</td><td rowspan="1" colspan="1">0.0313*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H7</td><td rowspan="1" colspan="1">0.75922</td><td rowspan="1" colspan="1">0.23461</td><td rowspan="1" colspan="1">1.01020</td><td rowspan="1" colspan="1">0.0334*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4</td><td rowspan="1" colspan="1">0.92757</td><td rowspan="1" colspan="1">0.35268</td><td rowspan="1" colspan="1">0.36341</td><td rowspan="1" colspan="1">0.0414*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8A</td><td rowspan="1" colspan="1">0.39712</td><td rowspan="1" colspan="1">0.83607</td><td rowspan="1" colspan="1">0.64133</td><td rowspan="1" colspan="1">0.0696*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8B</td><td rowspan="1" colspan="1">0.34751</td><td rowspan="1" colspan="1">0.80547</td><td rowspan="1" colspan="1">0.54908</td><td rowspan="1" colspan="1">0.0696*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H8C</td><td rowspan="1" colspan="1">0.49274</td><td rowspan="1" colspan="1">0.89144</td><td rowspan="1" colspan="1">0.55842</td><td rowspan="1" colspan="1">0.0696*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9A</td><td rowspan="1" colspan="1">0.56759</td><td rowspan="1" colspan="1">0.62160</td><td rowspan="1" colspan="1">0.73266</td><td rowspan="1" colspan="1">0.0929*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9B</td><td rowspan="1" colspan="1">0.77569</td><td rowspan="1" colspan="1">0.53523</td><td rowspan="1" colspan="1">0.71003</td><td rowspan="1" colspan="1">0.0929*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H9C</td><td rowspan="1" colspan="1">0.63979</td><td rowspan="1" colspan="1">0.43749</td><td rowspan="1" colspan="1">0.70578</td><td rowspan="1" colspan="1">0.0929*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H11</td><td rowspan="1" colspan="1">0.54315</td><td rowspan="1" colspan="1">0.75273</td><td rowspan="1" colspan="1">0.43378</td><td rowspan="1" colspan="1">0.0313*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H12</td><td rowspan="1" colspan="1">0.69889</td><td rowspan="1" colspan="1">0.61485</td><td rowspan="1" colspan="1">0.32650</td><td rowspan="1" colspan="1">0.0382*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H13</td><td rowspan="1" colspan="1">1.02129</td><td rowspan="1" colspan="1">0.21331</td><td rowspan="1" colspan="1">0.50122</td><td rowspan="1" colspan="1">0.0430*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H14</td><td rowspan="1" colspan="1">0.87896</td><td rowspan="1" colspan="1">0.33776</td><td rowspan="1" colspan="1">0.61367</td><td rowspan="1" colspan="1">0.0371*</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="d1e1289"><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">Co</td><td rowspan="1" colspan="1">0.0182 (1)</td><td rowspan="1" colspan="1">0.0204 (1)</td><td rowspan="1" colspan="1">0.0238 (1)</td><td rowspan="1" colspan="1">−0.0059 (1)</td><td rowspan="1" colspan="1">0.0025 (1)</td><td rowspan="1" colspan="1">−0.0039 (1)</td></tr><tr><td rowspan="1" colspan="1">Cl1</td><td rowspan="1" colspan="1">0.0251 (2)</td><td rowspan="1" colspan="1">0.0346 (2)</td><td rowspan="1" colspan="1">0.0351 (2)</td><td rowspan="1" colspan="1">−0.0161 (2)</td><td rowspan="1" colspan="1">0.0011 (2)</td><td rowspan="1" colspan="1">−0.0038 (2)</td></tr><tr><td rowspan="1" colspan="1">Cl2</td><td rowspan="1" colspan="1">0.0423 (3)</td><td rowspan="1" colspan="1">0.0219 (2)</td><td rowspan="1" colspan="1">0.0288 (2)</td><td rowspan="1" colspan="1">−0.0039 (2)</td><td rowspan="1" colspan="1">0.0040 (2)</td><td rowspan="1" colspan="1">−0.0005 (2)</td></tr><tr><td rowspan="1" colspan="1">Cl3</td><td rowspan="1" colspan="1">0.0260 (2)</td><td rowspan="1" colspan="1">0.0317 (2)</td><td rowspan="1" colspan="1">0.0315 (2)</td><td rowspan="1" colspan="1">−0.0057 (2)</td><td rowspan="1" colspan="1">−0.0046 (2)</td><td rowspan="1" colspan="1">−0.0092 (2)</td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.0294 (8)</td><td rowspan="1" colspan="1">0.0294 (8)</td><td rowspan="1" colspan="1">0.0233 (7)</td><td rowspan="1" colspan="1">−0.0030 (6)</td><td rowspan="1" colspan="1">0.0043 (6)</td><td rowspan="1" colspan="1">−0.0069 (6)</td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.0194 (7)</td><td rowspan="1" colspan="1">0.0225 (7)</td><td rowspan="1" colspan="1">0.0245 (7)</td><td rowspan="1" colspan="1">−0.0061 (5)</td><td rowspan="1" colspan="1">0.0014 (5)</td><td rowspan="1" colspan="1">−0.0054 (5)</td></tr><tr><td rowspan="1" colspan="1">C1</td><td rowspan="1" colspan="1">0.0273 (9)</td><td rowspan="1" colspan="1">0.0329 (10)</td><td rowspan="1" colspan="1">0.0304 (9)</td><td rowspan="1" colspan="1">0.0003 (7)</td><td rowspan="1" colspan="1">0.0098 (7)</td><td rowspan="1" colspan="1">−0.0014 (8)</td></tr><tr><td rowspan="1" colspan="1">C2</td><td rowspan="1" colspan="1">0.0501 (12)</td><td rowspan="1" colspan="1">0.0379 (11)</td><td rowspan="1" colspan="1">0.0266 (9)</td><td rowspan="1" colspan="1">−0.0065 (9)</td><td rowspan="1" colspan="1">0.0054 (8)</td><td rowspan="1" colspan="1">−0.0130 (8)</td></tr><tr><td rowspan="1" colspan="1">C3</td><td rowspan="1" colspan="1">0.0259 (8)</td><td rowspan="1" colspan="1">0.0168 (8)</td><td rowspan="1" colspan="1">0.0229 (8)</td><td rowspan="1" colspan="1">−0.0021 (6)</td><td rowspan="1" colspan="1">0.0010 (7)</td><td rowspan="1" colspan="1">−0.0015 (6)</td></tr><tr><td rowspan="1" colspan="1">C4</td><td rowspan="1" colspan="1">0.0187 (8)</td><td rowspan="1" colspan="1">0.0278 (9)</td><td rowspan="1" colspan="1">0.0251 (8)</td><td rowspan="1" colspan="1">−0.0068 (7)</td><td rowspan="1" colspan="1">0.0005 (6)</td><td rowspan="1" colspan="1">−0.0037 (7)</td></tr><tr><td rowspan="1" colspan="1">C5</td><td rowspan="1" colspan="1">0.0225 (8)</td><td rowspan="1" colspan="1">0.0251 (8)</td><td rowspan="1" colspan="1">0.0223 (8)</td><td rowspan="1" colspan="1">−0.0084 (7)</td><td rowspan="1" colspan="1">−0.0003 (6)</td><td rowspan="1" colspan="1">−0.0050 (7)</td></tr><tr><td rowspan="1" colspan="1">C6</td><td rowspan="1" colspan="1">0.0207 (8)</td><td rowspan="1" colspan="1">0.0256 (9)</td><td rowspan="1" colspan="1">0.0312 (9)</td><td rowspan="1" colspan="1">−0.0080 (7)</td><td rowspan="1" colspan="1">−0.0019 (7)</td><td rowspan="1" colspan="1">−0.0055 (7)</td></tr><tr><td rowspan="1" colspan="1">C7</td><td rowspan="1" colspan="1">0.0289 (9)</td><td rowspan="1" colspan="1">0.0257 (9)</td><td rowspan="1" colspan="1">0.0279 (9)</td><td rowspan="1" colspan="1">−0.0081 (7)</td><td rowspan="1" colspan="1">−0.0038 (7)</td><td rowspan="1" colspan="1">−0.0077 (7)</td></tr><tr><td rowspan="1" colspan="1">N3</td><td rowspan="1" colspan="1">0.0380 (9)</td><td rowspan="1" colspan="1">0.0459 (9)</td><td rowspan="1" colspan="1">0.0282 (8)</td><td rowspan="1" colspan="1">−0.0206 (7)</td><td rowspan="1" colspan="1">0.0062 (7)</td><td rowspan="1" colspan="1">−0.0161 (7)</td></tr><tr><td rowspan="1" colspan="1">N4</td><td rowspan="1" colspan="1">0.0364 (8)</td><td rowspan="1" colspan="1">0.0359 (9)</td><td rowspan="1" colspan="1">0.0430 (9)</td><td rowspan="1" colspan="1">−0.0214 (7)</td><td rowspan="1" colspan="1">0.0158 (7)</td><td rowspan="1" colspan="1">−0.0202 (7)</td></tr><tr><td rowspan="1" colspan="1">C8</td><td rowspan="1" colspan="1">0.0357 (11)</td><td rowspan="1" colspan="1">0.0520 (13)</td><td rowspan="1" colspan="1">0.0636 (14)</td><td rowspan="1" colspan="1">−0.0192 (10)</td><td rowspan="1" colspan="1">0.0152 (10)</td><td rowspan="1" colspan="1">−0.0358 (11)</td></tr><tr><td rowspan="1" colspan="1">C9</td><td rowspan="1" colspan="1">0.0711 (17)</td><td rowspan="1" colspan="1">0.097 (2)</td><td rowspan="1" colspan="1">0.0253 (10)</td><td rowspan="1" colspan="1">−0.0384 (15)</td><td rowspan="1" colspan="1">0.0099 (10)</td><td rowspan="1" colspan="1">−0.0160 (12)</td></tr><tr><td rowspan="1" colspan="1">C10</td><td rowspan="1" colspan="1">0.0245 (8)</td><td rowspan="1" colspan="1">0.0268 (9)</td><td rowspan="1" colspan="1">0.0269 (8)</td><td rowspan="1" colspan="1">−0.0157 (7)</td><td rowspan="1" colspan="1">0.0010 (7)</td><td rowspan="1" colspan="1">−0.0063 (7)</td></tr><tr><td rowspan="1" colspan="1">C11</td><td rowspan="1" colspan="1">0.0248 (8)</td><td rowspan="1" colspan="1">0.0235 (8)</td><td rowspan="1" colspan="1">0.0301 (9)</td><td rowspan="1" colspan="1">−0.0107 (7)</td><td rowspan="1" colspan="1">−0.0021 (7)</td><td rowspan="1" colspan="1">−0.0022 (7)</td></tr><tr><td rowspan="1" colspan="1">C12</td><td rowspan="1" colspan="1">0.0394 (10)</td><td rowspan="1" colspan="1">0.0409 (11)</td><td rowspan="1" colspan="1">0.0248 (9)</td><td rowspan="1" colspan="1">−0.0269 (9)</td><td rowspan="1" colspan="1">0.0027 (8)</td><td rowspan="1" colspan="1">−0.0047 (8)</td></tr><tr><td rowspan="1" colspan="1">C13</td><td rowspan="1" colspan="1">0.0287 (9)</td><td rowspan="1" colspan="1">0.0245 (9)</td><td rowspan="1" colspan="1">0.0568 (12)</td><td rowspan="1" colspan="1">−0.0121 (7)</td><td rowspan="1" colspan="1">0.0048 (9)</td><td rowspan="1" colspan="1">−0.0093 (9)</td></tr><tr><td rowspan="1" colspan="1">C14</td><td rowspan="1" colspan="1">0.0323 (9)</td><td rowspan="1" colspan="1">0.0274 (9)</td><td rowspan="1" colspan="1">0.0330 (9)</td><td rowspan="1" colspan="1">−0.0153 (8)</td><td rowspan="1" colspan="1">−0.0053 (8)</td><td rowspan="1" colspan="1">0.0026 (7)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e1761"><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">Co—Cl1</td><td rowspan="1" colspan="1">2.2482 (6)</td><td rowspan="1" colspan="1">C2—H2C</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">Co—Cl2</td><td rowspan="1" colspan="1">2.2642 (5)</td><td rowspan="1" colspan="1">C2—H2A</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">Co—Cl3</td><td rowspan="1" colspan="1">2.2680 (5)</td><td rowspan="1" colspan="1">C2—H2B</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">Co—N2</td><td rowspan="1" colspan="1">2.0154 (14)</td><td rowspan="1" colspan="1">C4—H4A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N1—C1</td><td rowspan="1" colspan="1">1.457 (2)</td><td rowspan="1" colspan="1">C5—H5</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N1—C2</td><td rowspan="1" colspan="1">1.459 (2)</td><td rowspan="1" colspan="1">C6—H6</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N1—C3</td><td rowspan="1" colspan="1">1.344 (2)</td><td rowspan="1" colspan="1">C7—H7</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2—C5</td><td rowspan="1" colspan="1">1.352 (2)</td><td rowspan="1" colspan="1">C10—C11</td><td rowspan="1" colspan="1">1.422 (2)</td></tr><tr><td rowspan="1" colspan="1">N2—C6</td><td rowspan="1" colspan="1">1.349 (2)</td><td rowspan="1" colspan="1">C10—C14</td><td rowspan="1" colspan="1">1.420 (2)</td></tr><tr><td rowspan="1" colspan="1">N3—C9</td><td rowspan="1" colspan="1">1.456 (3)</td><td rowspan="1" colspan="1">C11—C12</td><td rowspan="1" colspan="1">1.358 (3)</td></tr><tr><td rowspan="1" colspan="1">N3—C10</td><td rowspan="1" colspan="1">1.331 (2)</td><td rowspan="1" colspan="1">C13—C14</td><td rowspan="1" colspan="1">1.347 (3)</td></tr><tr><td rowspan="1" colspan="1">N3—C8</td><td rowspan="1" colspan="1">1.457 (3)</td><td rowspan="1" colspan="1">C8—H8A</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N4—C12</td><td rowspan="1" colspan="1">1.339 (3)</td><td rowspan="1" colspan="1">C8—H8B</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N4—C13</td><td rowspan="1" colspan="1">1.336 (3)</td><td rowspan="1" colspan="1">C8—H8C</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N4—H4</td><td rowspan="1" colspan="1">0.8600</td><td rowspan="1" colspan="1">C9—H9A</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">C3—C7</td><td rowspan="1" colspan="1">1.419 (2)</td><td rowspan="1" colspan="1">C9—H9B</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">C3—C4</td><td rowspan="1" colspan="1">1.407 (2)</td><td rowspan="1" colspan="1">C9—H9C</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">C4—C5</td><td rowspan="1" colspan="1">1.363 (2)</td><td rowspan="1" colspan="1">C11—H11</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C6—C7</td><td rowspan="1" colspan="1">1.363 (2)</td><td rowspan="1" colspan="1">C12—H12</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C1—H1B</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C13—H13</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C1—H1A</td><td rowspan="1" colspan="1">0.9600</td><td rowspan="1" colspan="1">C14—H14</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">C1—H1C</td><td rowspan="1" colspan="1">0.9600</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">Co···H4<sup>i</sup></td><td rowspan="1" colspan="1">3.2300</td><td rowspan="1" colspan="1">C13···H8B<sup>viii</sup></td><td rowspan="1" colspan="1">2.8000</td></tr><tr><td rowspan="1" colspan="1">Cl1···N2</td><td rowspan="1" colspan="1">3.3714 (16)</td><td rowspan="1" colspan="1">C14···H9B</td><td rowspan="1" colspan="1">2.8000</td></tr><tr><td rowspan="1" colspan="1">Cl1···C4<sup>ii</sup></td><td rowspan="1" colspan="1">3.5458 (17)</td><td rowspan="1" colspan="1">C14···H9C</td><td rowspan="1" colspan="1">2.7800</td></tr><tr><td rowspan="1" colspan="1">Cl1···C5<sup>ii</sup></td><td rowspan="1" colspan="1">3.6498 (17)</td><td rowspan="1" colspan="1">H1A···H2A</td><td rowspan="1" colspan="1">2.1400</td></tr><tr><td rowspan="1" colspan="1">Cl1···C6</td><td rowspan="1" colspan="1">3.6194 (17)</td><td rowspan="1" colspan="1">H1A···Cl2<sup>vii</sup></td><td rowspan="1" colspan="1">3.0500</td></tr><tr><td rowspan="1" colspan="1">Cl1···C12<sup>iii</sup></td><td rowspan="1" colspan="1">3.549 (2)</td><td rowspan="1" colspan="1">H1B···C7<sup>vii</sup></td><td rowspan="1" colspan="1">2.9700</td></tr><tr><td rowspan="1" colspan="1">Cl2···N4<sup>i</sup></td><td rowspan="1" colspan="1">3.3535 (17)</td><td rowspan="1" colspan="1">H1B···H4A</td><td rowspan="1" colspan="1">2.3400</td></tr><tr><td rowspan="1" colspan="1">Cl2···Cl3</td><td rowspan="1" colspan="1">3.5783 (7)</td><td rowspan="1" colspan="1">H1B···C4</td><td rowspan="1" colspan="1">2.7700</td></tr><tr><td rowspan="1" colspan="1">Cl3···N2</td><td rowspan="1" colspan="1">3.4083 (14)</td><td rowspan="1" colspan="1">H1B···C6<sup>vii</sup></td><td rowspan="1" colspan="1">2.8800</td></tr><tr><td rowspan="1" colspan="1">Cl3···Cl2</td><td rowspan="1" colspan="1">3.5783 (7)</td><td rowspan="1" colspan="1">H1B···N2<sup>vii</sup></td><td rowspan="1" colspan="1">2.9400</td></tr><tr><td rowspan="1" colspan="1">Cl3···C8<sup>iv</sup></td><td rowspan="1" colspan="1">3.648 (3)</td><td rowspan="1" colspan="1">H1B···C5<sup>vii</sup></td><td rowspan="1" colspan="1">3.0700</td></tr><tr><td rowspan="1" colspan="1">Cl3···C13<sup>i</sup></td><td rowspan="1" colspan="1">3.4048 (19)</td><td rowspan="1" colspan="1">H1C···Cl2<sup>xii</sup></td><td rowspan="1" colspan="1">2.8900</td></tr><tr><td rowspan="1" colspan="1">Cl3···N4<sup>i</sup></td><td rowspan="1" colspan="1">3.3279 (17)</td><td rowspan="1" colspan="1">H1C···C4</td><td rowspan="1" colspan="1">2.7400</td></tr><tr><td rowspan="1" colspan="1">Cl3···C5</td><td rowspan="1" colspan="1">3.5318 (16)</td><td rowspan="1" colspan="1">H1C···H4A</td><td rowspan="1" colspan="1">2.2600</td></tr><tr><td rowspan="1" colspan="1">Cl1···H5<sup>ii</sup></td><td rowspan="1" colspan="1">3.0400</td><td rowspan="1" colspan="1">H2A···H1A</td><td rowspan="1" colspan="1">2.1400</td></tr><tr><td rowspan="1" colspan="1">Cl1···H14</td><td rowspan="1" colspan="1">2.8700</td><td rowspan="1" colspan="1">H2A···C9<sup>xi</sup></td><td rowspan="1" colspan="1">2.9400</td></tr><tr><td rowspan="1" colspan="1">Cl1···H12<sup>iii</sup></td><td rowspan="1" colspan="1">3.0400</td><td rowspan="1" colspan="1">H2A···H9A<sup>xi</sup></td><td rowspan="1" colspan="1">2.2800</td></tr><tr><td rowspan="1" colspan="1">Cl1···H4A<sup>ii</sup></td><td rowspan="1" colspan="1">2.8500</td><td rowspan="1" colspan="1">H2B···H7</td><td rowspan="1" colspan="1">2.2900</td></tr><tr><td rowspan="1" colspan="1">Cl1···H8A<sup>v</sup></td><td rowspan="1" colspan="1">2.8400</td><td rowspan="1" colspan="1">H2B···C7</td><td rowspan="1" colspan="1">2.7800</td></tr><tr><td rowspan="1" colspan="1">Cl1···H6</td><td rowspan="1" colspan="1">3.1400</td><td rowspan="1" colspan="1">H2B···C3<sup>xi</sup></td><td rowspan="1" colspan="1">2.9600</td></tr><tr><td rowspan="1" colspan="1">Cl1···H2C<sup>vi</sup></td><td rowspan="1" colspan="1">3.0700</td><td rowspan="1" colspan="1">H2B···C7<sup>xi</sup></td><td rowspan="1" colspan="1">3.0600</td></tr><tr><td rowspan="1" colspan="1">Cl2···H1C<sup>v</sup></td><td rowspan="1" colspan="1">2.8900</td><td rowspan="1" colspan="1">H2B···Cl2<sup>vi</sup></td><td rowspan="1" colspan="1">3.1500</td></tr><tr><td rowspan="1" colspan="1">Cl2···H1A<sup>vii</sup></td><td rowspan="1" colspan="1">3.0500</td><td rowspan="1" colspan="1">H2C···Cl1<sup>vi</sup></td><td rowspan="1" colspan="1">3.0700</td></tr><tr><td rowspan="1" colspan="1">Cl2···H2B<sup>vi</sup></td><td rowspan="1" colspan="1">3.1500</td><td rowspan="1" colspan="1">H2C···C7</td><td rowspan="1" colspan="1">2.8500</td></tr><tr><td rowspan="1" colspan="1">Cl2···H4<sup>i</sup></td><td rowspan="1" colspan="1">2.6400</td><td rowspan="1" colspan="1">H2C···H7</td><td rowspan="1" colspan="1">2.4600</td></tr><tr><td rowspan="1" colspan="1">Cl3···H8C<sup>iv</sup></td><td rowspan="1" colspan="1">3.0000</td><td rowspan="1" colspan="1">H4···Cl2<sup>i</sup></td><td rowspan="1" colspan="1">2.6400</td></tr><tr><td rowspan="1" colspan="1">Cl3···H5</td><td rowspan="1" colspan="1">2.9500</td><td rowspan="1" colspan="1">H4···Co<sup>i</sup></td><td rowspan="1" colspan="1">3.2300</td></tr><tr><td rowspan="1" colspan="1">Cl3···H4<sup>i</sup></td><td rowspan="1" colspan="1">2.7000</td><td rowspan="1" colspan="1">H4···Cl3<sup>i</sup></td><td rowspan="1" colspan="1">2.7000</td></tr><tr><td rowspan="1" colspan="1">Cl3···H8B<sup>viii</sup></td><td rowspan="1" colspan="1">3.0300</td><td rowspan="1" colspan="1">H4A···Cl1<sup>ix</sup></td><td rowspan="1" colspan="1">2.8500</td></tr><tr><td rowspan="1" colspan="1">Cl3···H11<sup>viii</sup></td><td rowspan="1" colspan="1">2.8600</td><td rowspan="1" colspan="1">H4A···H1C</td><td rowspan="1" colspan="1">2.2600</td></tr><tr><td rowspan="1" colspan="1">Cl3···H13<sup>i</sup></td><td rowspan="1" colspan="1">2.8100</td><td rowspan="1" colspan="1">H4A···H1B</td><td rowspan="1" colspan="1">2.3400</td></tr><tr><td rowspan="1" colspan="1">N2···Cl1</td><td rowspan="1" colspan="1">3.3714 (16)</td><td rowspan="1" colspan="1">H4A···C1</td><td rowspan="1" colspan="1">2.4900</td></tr><tr><td rowspan="1" colspan="1">N2···Cl3</td><td rowspan="1" colspan="1">3.4083 (14)</td><td rowspan="1" colspan="1">H5···Cl1<sup>ix</sup></td><td rowspan="1" colspan="1">3.0400</td></tr><tr><td rowspan="1" colspan="1">N4···C14<sup>iii</sup></td><td rowspan="1" colspan="1">3.394 (2)</td><td rowspan="1" colspan="1">H5···Cl3</td><td rowspan="1" colspan="1">2.9500</td></tr><tr><td rowspan="1" colspan="1">N4···Cl2<sup>i</sup></td><td rowspan="1" colspan="1">3.3535 (17)</td><td rowspan="1" colspan="1">H6···Cl1</td><td rowspan="1" colspan="1">3.1400</td></tr><tr><td rowspan="1" colspan="1">N4···Cl3<sup>i</sup></td><td rowspan="1" colspan="1">3.3279 (17)</td><td rowspan="1" colspan="1">H7···C2</td><td rowspan="1" colspan="1">2.5600</td></tr><tr><td rowspan="1" colspan="1">N2···H1B<sup>vii</sup></td><td rowspan="1" colspan="1">2.9400</td><td rowspan="1" colspan="1">H7···H2B</td><td rowspan="1" colspan="1">2.2900</td></tr><tr><td rowspan="1" colspan="1">N4···H8B<sup>viii</sup></td><td rowspan="1" colspan="1">2.8700</td><td rowspan="1" colspan="1">H7···H2C</td><td rowspan="1" colspan="1">2.4600</td></tr><tr><td rowspan="1" colspan="1">C4···Cl1<sup>ix</sup></td><td rowspan="1" colspan="1">3.5458 (17)</td><td rowspan="1" colspan="1">H8A···Cl1<sup>xii</sup></td><td rowspan="1" colspan="1">2.8400</td></tr><tr><td rowspan="1" colspan="1">C5···Cl1<sup>ix</sup></td><td rowspan="1" colspan="1">3.6498 (17)</td><td rowspan="1" colspan="1">H8A···H9A</td><td rowspan="1" colspan="1">2.0700</td></tr><tr><td rowspan="1" colspan="1">C8···Cl3<sup>x</sup></td><td rowspan="1" colspan="1">3.648 (3)</td><td rowspan="1" colspan="1">H8B···C11</td><td rowspan="1" colspan="1">2.7900</td></tr><tr><td rowspan="1" colspan="1">C10···C13<sup>iii</sup></td><td rowspan="1" colspan="1">3.509 (3)</td><td rowspan="1" colspan="1">H8B···H11</td><td rowspan="1" colspan="1">2.3400</td></tr><tr><td rowspan="1" colspan="1">C10···C11<sup>viii</sup></td><td rowspan="1" colspan="1">3.533 (2)</td><td rowspan="1" colspan="1">H8B···Cl3<sup>viii</sup></td><td rowspan="1" colspan="1">3.0300</td></tr><tr><td rowspan="1" colspan="1">C11···C10<sup>viii</sup></td><td rowspan="1" colspan="1">3.533 (2)</td><td rowspan="1" colspan="1">H8B···N4<sup>viii</sup></td><td rowspan="1" colspan="1">2.8700</td></tr><tr><td rowspan="1" colspan="1">C12···Cl1<sup>iii</sup></td><td rowspan="1" colspan="1">3.549 (2)</td><td rowspan="1" colspan="1">H8B···C13<sup>viii</sup></td><td rowspan="1" colspan="1">2.8000</td></tr><tr><td rowspan="1" colspan="1">C13···C10<sup>iii</sup></td><td rowspan="1" colspan="1">3.509 (3)</td><td rowspan="1" colspan="1">H8C···Cl3<sup>x</sup></td><td rowspan="1" colspan="1">3.0000</td></tr><tr><td rowspan="1" colspan="1">C13···Cl3<sup>i</sup></td><td rowspan="1" colspan="1">3.4048 (19)</td><td rowspan="1" colspan="1">H8C···C11</td><td rowspan="1" colspan="1">2.8300</td></tr><tr><td rowspan="1" colspan="1">C13···C14<sup>iii</sup></td><td rowspan="1" colspan="1">3.491 (3)</td><td rowspan="1" colspan="1">H8C···H11</td><td rowspan="1" colspan="1">2.3900</td></tr><tr><td rowspan="1" colspan="1">C14···C13<sup>iii</sup></td><td rowspan="1" colspan="1">3.491 (3)</td><td rowspan="1" colspan="1">H8C···H8C<sup>xiii</sup></td><td rowspan="1" colspan="1">2.3600</td></tr><tr><td rowspan="1" colspan="1">C14···N4<sup>iii</sup></td><td rowspan="1" colspan="1">3.394 (2)</td><td rowspan="1" colspan="1">H9A···H8A</td><td rowspan="1" colspan="1">2.0700</td></tr><tr><td rowspan="1" colspan="1">C1···H4A</td><td rowspan="1" colspan="1">2.4900</td><td rowspan="1" colspan="1">H9A···C2<sup>xi</sup></td><td rowspan="1" colspan="1">2.8000</td></tr><tr><td rowspan="1" colspan="1">C2···H9A<sup>xi</sup></td><td rowspan="1" colspan="1">2.8000</td><td rowspan="1" colspan="1">H9A···H2A<sup>xi</sup></td><td rowspan="1" colspan="1">2.2800</td></tr><tr><td rowspan="1" colspan="1">C2···H7</td><td rowspan="1" colspan="1">2.5600</td><td rowspan="1" colspan="1">H9B···C14</td><td rowspan="1" colspan="1">2.8000</td></tr><tr><td rowspan="1" colspan="1">C3···H2B<sup>xi</sup></td><td rowspan="1" colspan="1">2.9600</td><td rowspan="1" colspan="1">H9B···H14</td><td rowspan="1" colspan="1">2.3500</td></tr><tr><td rowspan="1" colspan="1">C4···H1B</td><td rowspan="1" colspan="1">2.7700</td><td rowspan="1" colspan="1">H9C···C14</td><td rowspan="1" colspan="1">2.7800</td></tr><tr><td rowspan="1" colspan="1">C4···H1C</td><td rowspan="1" colspan="1">2.7400</td><td rowspan="1" colspan="1">H9C···H14</td><td rowspan="1" colspan="1">2.3300</td></tr><tr><td rowspan="1" colspan="1">C5···H1B<sup>vii</sup></td><td rowspan="1" colspan="1">3.0700</td><td rowspan="1" colspan="1">H11···C8</td><td rowspan="1" colspan="1">2.5500</td></tr><tr><td rowspan="1" colspan="1">C6···H1B<sup>vii</sup></td><td rowspan="1" colspan="1">2.8800</td><td rowspan="1" colspan="1">H11···H8B</td><td rowspan="1" colspan="1">2.3400</td></tr><tr><td rowspan="1" colspan="1">C7···H2B<sup>xi</sup></td><td rowspan="1" colspan="1">3.0600</td><td rowspan="1" colspan="1">H11···H8C</td><td rowspan="1" colspan="1">2.3900</td></tr><tr><td rowspan="1" colspan="1">C7···H2B</td><td rowspan="1" colspan="1">2.7800</td><td rowspan="1" colspan="1">H11···Cl3<sup>viii</sup></td><td rowspan="1" colspan="1">2.8600</td></tr><tr><td rowspan="1" colspan="1">C7···H2C</td><td rowspan="1" colspan="1">2.8500</td><td rowspan="1" colspan="1">H12···Cl1<sup>iii</sup></td><td rowspan="1" colspan="1">3.0400</td></tr><tr><td rowspan="1" colspan="1">C7···H1B<sup>vii</sup></td><td rowspan="1" colspan="1">2.9700</td><td rowspan="1" colspan="1">H13···Cl3<sup>i</sup></td><td rowspan="1" colspan="1">2.8100</td></tr><tr><td rowspan="1" colspan="1">C8···H11</td><td rowspan="1" colspan="1">2.5500</td><td rowspan="1" colspan="1">H14···Cl1</td><td rowspan="1" colspan="1">2.8700</td></tr><tr><td rowspan="1" colspan="1">C9···H2A<sup>xi</sup></td><td rowspan="1" colspan="1">2.9400</td><td rowspan="1" colspan="1">H14···C9</td><td rowspan="1" colspan="1">2.5300</td></tr><tr><td rowspan="1" colspan="1">C9···H14</td><td rowspan="1" colspan="1">2.5300</td><td rowspan="1" colspan="1">H14···H9B</td><td rowspan="1" colspan="1">2.3500</td></tr><tr><td rowspan="1" colspan="1">C11···H8B</td><td rowspan="1" colspan="1">2.7900</td><td rowspan="1" colspan="1">H14···H9C</td><td rowspan="1" colspan="1">2.3300</td></tr><tr><td rowspan="1" colspan="1">C11···H8C</td><td rowspan="1" colspan="1">2.8300</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">Cl1—Co—Cl2</td><td rowspan="1" colspan="1">113.59 (2)</td><td rowspan="1" colspan="1">N1—C2—H2C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">Cl1—Co—Cl3</td><td rowspan="1" colspan="1">115.11 (2)</td><td rowspan="1" colspan="1">C3—C4—H4A</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Cl1—Co—N2</td><td rowspan="1" colspan="1">104.37 (4)</td><td rowspan="1" colspan="1">C5—C4—H4A</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Cl2—Co—Cl3</td><td rowspan="1" colspan="1">104.29 (2)</td><td rowspan="1" colspan="1">N2—C5—H5</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">Cl2—Co—N2</td><td rowspan="1" colspan="1">114.18 (4)</td><td rowspan="1" colspan="1">C4—C5—H5</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">Cl3—Co—N2</td><td rowspan="1" colspan="1">105.29 (4)</td><td rowspan="1" colspan="1">C7—C6—H6</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C1—N1—C2</td><td rowspan="1" colspan="1">118.24 (16)</td><td rowspan="1" colspan="1">N2—C6—H6</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C1—N1—C3</td><td rowspan="1" colspan="1">119.92 (15)</td><td rowspan="1" colspan="1">C6—C7—H7</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C2—N1—C3</td><td rowspan="1" colspan="1">121.09 (17)</td><td rowspan="1" colspan="1">C3—C7—H7</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">Co—N2—C5</td><td rowspan="1" colspan="1">121.29 (11)</td><td rowspan="1" colspan="1">C11—C10—C14</td><td rowspan="1" colspan="1">115.84 (15)</td></tr><tr><td rowspan="1" colspan="1">Co—N2—C6</td><td rowspan="1" colspan="1">122.80 (12)</td><td rowspan="1" colspan="1">N3—C10—C11</td><td rowspan="1" colspan="1">122.27 (15)</td></tr><tr><td rowspan="1" colspan="1">C5—N2—C6</td><td rowspan="1" colspan="1">115.81 (14)</td><td rowspan="1" colspan="1">N3—C10—C14</td><td rowspan="1" colspan="1">121.88 (16)</td></tr><tr><td rowspan="1" colspan="1">C9—N3—C10</td><td rowspan="1" colspan="1">121.60 (18)</td><td rowspan="1" colspan="1">C10—C11—C12</td><td rowspan="1" colspan="1">120.02 (16)</td></tr><tr><td rowspan="1" colspan="1">C8—N3—C9</td><td rowspan="1" colspan="1">116.52 (19)</td><td rowspan="1" colspan="1">N4—C12—C11</td><td rowspan="1" colspan="1">121.46 (16)</td></tr><tr><td rowspan="1" colspan="1">C8—N3—C10</td><td rowspan="1" colspan="1">121.76 (16)</td><td rowspan="1" colspan="1">N4—C13—C14</td><td rowspan="1" colspan="1">121.57 (17)</td></tr><tr><td rowspan="1" colspan="1">C12—N4—C13</td><td rowspan="1" colspan="1">120.55 (16)</td><td rowspan="1" colspan="1">C10—C14—C13</td><td rowspan="1" colspan="1">120.53 (17)</td></tr><tr><td rowspan="1" colspan="1">C13—N4—H4</td><td rowspan="1" colspan="1">120.00</td><td rowspan="1" colspan="1">N3—C8—H8A</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C12—N4—H4</td><td rowspan="1" colspan="1">120.00</td><td rowspan="1" colspan="1">N3—C8—H8B</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1—C3—C4</td><td rowspan="1" colspan="1">121.87 (15)</td><td rowspan="1" colspan="1">N3—C8—H8C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C4—C3—C7</td><td rowspan="1" colspan="1">115.53 (14)</td><td rowspan="1" colspan="1">H8A—C8—H8B</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1—C3—C7</td><td rowspan="1" colspan="1">122.61 (15)</td><td rowspan="1" colspan="1">H8A—C8—H8C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C3—C4—C5</td><td rowspan="1" colspan="1">120.32 (15)</td><td rowspan="1" colspan="1">H8B—C8—H8C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N2—C5—C4</td><td rowspan="1" colspan="1">124.10 (15)</td><td rowspan="1" colspan="1">N3—C9—H9A</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N2—C6—C7</td><td rowspan="1" colspan="1">124.37 (16)</td><td rowspan="1" colspan="1">N3—C9—H9B</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C3—C7—C6</td><td rowspan="1" colspan="1">119.83 (15)</td><td rowspan="1" colspan="1">N3—C9—H9C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">H1A—C1—H1B</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">H9A—C9—H9B</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">H1A—C1—H1C</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">H9A—C9—H9C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1—C1—H1C</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">H9B—C9—H9C</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1—C1—H1A</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">C10—C11—H11</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">N1—C1—H1B</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">C12—C11—H11</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">H1B—C1—H1C</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">N4—C12—H12</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">H2B—C2—H2C</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">C11—C12—H12</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">N1—C2—H2B</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">N4—C13—H13</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">N1—C2—H2A</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">C14—C13—H13</td><td rowspan="1" colspan="1">119.00</td></tr><tr><td rowspan="1" colspan="1">H2A—C2—H2B</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">C10—C14—H14</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">H2A—C2—H2C</td><td rowspan="1" colspan="1">109.00</td><td rowspan="1" colspan="1">C13—C14—H14</td><td rowspan="1" colspan="1">120.00</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">Cl1—Co—N2—C5</td><td rowspan="1" colspan="1">144.99 (11)</td><td rowspan="1" colspan="1">C9—N3—C10—C14</td><td rowspan="1" colspan="1">1.6 (3)</td></tr><tr><td rowspan="1" colspan="1">Cl1—Co—N2—C6</td><td rowspan="1" colspan="1">−38.86 (13)</td><td rowspan="1" colspan="1">C8—N3—C10—C11</td><td rowspan="1" colspan="1">−2.9 (3)</td></tr><tr><td rowspan="1" colspan="1">Cl2—Co—N2—C5</td><td rowspan="1" colspan="1">−90.41 (12)</td><td rowspan="1" colspan="1">C12—N4—C13—C14</td><td rowspan="1" colspan="1">0.5 (3)</td></tr><tr><td rowspan="1" colspan="1">Cl2—Co—N2—C6</td><td rowspan="1" colspan="1">85.75 (13)</td><td rowspan="1" colspan="1">C13—N4—C12—C11</td><td rowspan="1" colspan="1">−0.8 (3)</td></tr><tr><td rowspan="1" colspan="1">Cl3—Co—N2—C5</td><td rowspan="1" colspan="1">23.37 (13)</td><td rowspan="1" colspan="1">C7—C3—C4—C5</td><td rowspan="1" colspan="1">1.9 (2)</td></tr><tr><td rowspan="1" colspan="1">Cl3—Co—N2—C6</td><td rowspan="1" colspan="1">−160.48 (12)</td><td rowspan="1" colspan="1">N1—C3—C4—C5</td><td rowspan="1" colspan="1">−177.79 (15)</td></tr><tr><td rowspan="1" colspan="1">C1—N1—C3—C4</td><td rowspan="1" colspan="1">2.7 (2)</td><td rowspan="1" colspan="1">N1—C3—C7—C6</td><td rowspan="1" colspan="1">178.90 (16)</td></tr><tr><td rowspan="1" colspan="1">C1—N1—C3—C7</td><td rowspan="1" colspan="1">−176.94 (16)</td><td rowspan="1" colspan="1">C4—C3—C7—C6</td><td rowspan="1" colspan="1">−0.8 (2)</td></tr><tr><td rowspan="1" colspan="1">C2—N1—C3—C4</td><td rowspan="1" colspan="1">172.62 (16)</td><td rowspan="1" colspan="1">C3—C4—C5—N2</td><td rowspan="1" colspan="1">−1.1 (2)</td></tr><tr><td rowspan="1" colspan="1">C2—N1—C3—C7</td><td rowspan="1" colspan="1">−7.0 (3)</td><td rowspan="1" colspan="1">N2—C6—C7—C3</td><td rowspan="1" colspan="1">−1.3 (3)</td></tr><tr><td rowspan="1" colspan="1">Co—N2—C5—C4</td><td rowspan="1" colspan="1">175.57 (12)</td><td rowspan="1" colspan="1">N3—C10—C11—C12</td><td rowspan="1" colspan="1">−177.82 (19)</td></tr><tr><td rowspan="1" colspan="1">C6—N2—C5—C4</td><td rowspan="1" colspan="1">−0.8 (2)</td><td rowspan="1" colspan="1">C14—C10—C11—C12</td><td rowspan="1" colspan="1">1.8 (3)</td></tr><tr><td rowspan="1" colspan="1">Co—N2—C6—C7</td><td rowspan="1" colspan="1">−174.29 (13)</td><td rowspan="1" colspan="1">N3—C10—C14—C13</td><td rowspan="1" colspan="1">177.53 (18)</td></tr><tr><td rowspan="1" colspan="1">C5—N2—C6—C7</td><td rowspan="1" colspan="1">2.1 (2)</td><td rowspan="1" colspan="1">C11—C10—C14—C13</td><td rowspan="1" colspan="1">−2.1 (3)</td></tr><tr><td rowspan="1" colspan="1">C8—N3—C10—C14</td><td rowspan="1" colspan="1">177.51 (18)</td><td rowspan="1" colspan="1">C10—C11—C12—N4</td><td rowspan="1" colspan="1">−0.4 (3)</td></tr><tr><td rowspan="1" colspan="1">C9—N3—C10—C11</td><td rowspan="1" colspan="1">−178.8 (2)</td><td rowspan="1" colspan="1">N4—C13—C14—C10</td><td rowspan="1" colspan="1">1.0 (3)</td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>+2, −<italic>y</italic>, −<italic>z</italic>+1; (ii) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>; (iii) −<italic>x</italic>+2, −<italic>y</italic>+1, −<italic>z</italic>+1; (iv) <italic>x</italic>, <italic>y</italic>−1, <italic>z</italic>; (v) <italic>x</italic>+1, <italic>y</italic>−1, <italic>z</italic>; (vi) −<italic>x</italic>+2, −<italic>y</italic>, −<italic>z</italic>+2; (vii) −<italic>x</italic>+1, −<italic>y</italic>, −<italic>z</italic>+2; (viii) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+1; (ix) <italic>x</italic>−1, <italic>y</italic>, <italic>z</italic>; (x) <italic>x</italic>, <italic>y</italic>+1, <italic>z</italic>; (xi) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+2; (xii) <italic>x</italic>−1, <italic>y</italic>+1, <italic>z</italic>; (xiii) −<italic>x</italic>+1, −<italic>y</italic>+2, −<italic>z</italic>+1.</p></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, º)</title><table-wrap position="anchor" id="d1e3434"><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">N4—H4···Cl2<sup>i</sup></td><td rowspan="1" colspan="1">0.8600</td><td rowspan="1" colspan="1">2.6400</td><td rowspan="1" colspan="1">3.3535 (17)</td><td rowspan="1" colspan="1">142.00</td></tr><tr><td rowspan="1" colspan="1">N4—H4···Cl3<sup>i</sup></td><td rowspan="1" colspan="1">0.8600</td><td rowspan="1" colspan="1">2.7000</td><td rowspan="1" colspan="1">3.3279 (17)</td><td rowspan="1" colspan="1">131.00</td></tr><tr><td rowspan="1" colspan="1">C13—H13···Cl3<sup>i</sup></td><td rowspan="1" colspan="1">0.9300</td><td rowspan="1" colspan="1">2.8100</td><td rowspan="1" colspan="1">3.4048 (19)</td><td rowspan="1" colspan="1">123.00</td></tr></table></table-wrap><p>Symmetry code: (i) −<italic>x</italic>+2, −<italic>y</italic>, −<italic>z</italic>+1.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><mixed-citation publication-type="other">Akbarzadeh Torbati, N., Rezvani, A. R., Safari, N., Amani, V. & Khavasi, H. R. (2010). <italic>Acta Cryst.</italic> E<bold>66</bold>, m1236.</mixed-citation></ref><ref id="bb2"><mixed-citation publication-type="other">Araki, H., Tsuge, K., Sasaki, Y., Ishizaka, S. & Kitamura, N. (2005). <italic>Inorg. Chem.</italic><bold>44</bold>, 9667–9675.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Baker, G. L., Fronczek, F. R., Kiefer, G. E., Marston, C. R., Modenbach, C. L., Newkome, G. R., Puckett, W. E. & Watkins, S. F. (1988). <italic>Acta Cryst.</italic> C<bold>44</bold>, 1668–1669.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). <italic>Angew. Chem. Int. Ed. Engl.</italic><bold>34</bold>, 1555–1573.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Bruker (2006). <italic>APEX2</italic> and <italic>SAINT</italic> Bruker AXS Inc., Madison, Wisconsin, USA.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). <italic>J. Appl. Cryst.</italic><bold>38</bold>, 381–388.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Farrugia, L. J. (2012). <italic>J. Appl. Cryst.</italic><bold>45</bold>, 849–854.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). <italic>J. Appl. Cryst.</italic><bold>39</bold>, 453–457.</mixed-citation></ref><ref id="bb9"><mixed-citation publication-type="other">Persistence of Vision Team (2004). <italic>POV-RAY</italic> Persistence of Vision Raytracer Pty Ltd, Victoria, Australia. URL: http://www.povray.org/.</mixed-citation></ref><ref id="bb10"><mixed-citation publication-type="other">Satgé, C., Granet, R., Verneuil, B., Branland, P. & Krausz, P. (2004). <italic>C. R. Chim.</italic><bold>7</bold>, 135–142.</mixed-citation></ref><ref id="bb11"><mixed-citation publication-type="other">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref></ref-list></back><floats-group><table-wrap id="table1" position="float"><label>Table 1</label><caption><title>Selected bond lengths (Å)</title></caption><table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—Cl1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.2482 (6)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—Cl2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.2642 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—Cl3</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.2680 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.0154 (14)</td></tr></tbody></table></table-wrap><table-wrap id="table2" position="float"><label>Table 2</label><caption><title>Hydrogen-bond geometry (Å, °)</title></caption><table frame="hsides" rules="groups"><thead valign="bottom"><tr><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H</th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom">H⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>⋯<italic>A</italic></th><th style="border-bottom:1px solid black;" rowspan="1" colspan="1" align="left" valign="bottom"><italic>D</italic>—H⋯<italic>A</italic></th></tr></thead><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N4—H4⋯Cl2<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.64</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.3535 (17)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">142</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">N4—H4⋯Cl3<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.86</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.70</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.3279 (17)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">131</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">C13—H13⋯Cl3<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.93</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.81</td><td style="" rowspan="1" colspan="1" align="left" valign="top">3.4048 (19)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">123</td></tr></tbody></table><table-wrap-foot><p>Symmetry code: (i) <inline-formula><inline-graphic xlink:href="e-69-0m379-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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