catena-Poly[[bis[4-(dimethylamino)pyridine-κN1]cobalt(II)]-di-μ-azido-κ4N1:N3]
Identifieur interne : 000363 ( Pmc/Corpus ); précédent : 000362; suivant : 000364catena-Poly[[bis[4-(dimethylamino)pyridine-κN1]cobalt(II)]-di-μ-azido-κ4N1:N3]
Auteurs : Fatiha Guenifa ; Ouahida Zeghouan ; Nasreddine Hadjadj ; Lamia Bendjeddou ; Hocine MerazigSource :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2013.
Abstract
The title layered polymer, [Co(N3)2(C7H10N2)2]
Url:
DOI: 10.1107/S1600536813005205
PubMed: 23476514
PubMed Central: 3588528
Links to Exploration step
PMC:3588528Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en"><italic>catena</italic>-Poly[[bis[4-(dimethylamino)pyridine-κ<italic>N</italic><sup>1</sup>]cobalt(II)]-di-μ-azido-κ<sup>4</sup><italic>N</italic><sup>1</sup>:<italic>N</italic><sup>3</sup>]</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 de 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 de 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 de 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 de 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 de 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">23476514</idno><idno type="pmc">3588528</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588528</idno><idno type="RBID">PMC:3588528</idno><idno type="doi">10.1107/S1600536813005205</idno><date when="2013">2013</date><idno type="wicri:Area/Pmc/Corpus">000363</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000363</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main"><italic>catena</italic>-Poly[[bis[4-(dimethylamino)pyridine-κ<italic>N</italic><sup>1</sup>]cobalt(II)]-di-μ-azido-κ<sup>4</sup><italic>N</italic><sup>1</sup>:<italic>N</italic><sup>3</sup>]</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 de 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 de 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 de 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 de 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 de 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>The title layered polymer, [Co(N<sub>3</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)<sub>2</sub>]<sub><italic>n</italic></sub>, contains Co<sup>II</sup>, azide and 4-(dimethylamino)pyridine (4-DMAP) species with site symmetries <italic>m</italic>2<italic>m</italic>, 2 and <italic>m</italic>, respectively. The Co<sup>2+</sup> ion adopts an octahedral coordination geometry in which four N atoms from azide ligands lie in the equatorial plane and two 4-DMAP N atoms occupy the axial positions. The Co<sup>II</sup> atoms are connected by two bridging azide ligands, resulting in a chain parallel to the <italic>c</italic> axis.</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">23476514</article-id><article-id pub-id-type="pmc">3588528</article-id><article-id pub-id-type="publisher-id">vm2189</article-id><article-id pub-id-type="doi">10.1107/S1600536813005205</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536813005205</article-id><article-categories><subj-group subj-group-type="heading"><subject>Metal-Organic Papers</subject></subj-group></article-categories><title-group><article-title><italic>catena</italic>-Poly[[bis[4-(dimethylamino)pyridine-κ<italic>N</italic><sup>1</sup>]cobalt(II)]-di-μ-azido-κ<sup>4</sup><italic>N</italic><sup>1</sup>:<italic>N</italic><sup>3</sup>]</article-title><alt-title><italic>[Co(N<sub>3</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)<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>Zeghouan</surname><given-names>Ouahida</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>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 de 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>3</month><year>2013</year></pub-date><pub-date pub-type="epub"><day>28</day><month>2</month><year>2013</year></pub-date><pub-date pub-type="pmc-release"><day>28</day><month>2</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 3</issue><issue-id pub-id-type="publisher-id">e130300</issue-id><fpage>m175</fpage><lpage>m175</lpage><history><date date-type="received"><day>10</day><month>2</month><year>2013</year></date><date date-type="accepted"><day>22</day><month>2</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/S1600536813005205">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>The title layered polymer, [Co(N<sub>3</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)<sub>2</sub>]<sub><italic>n</italic></sub>, contains Co<sup>II</sup>, azide and 4-(dimethylamino)pyridine (4-DMAP) species with site symmetries <italic>m</italic>2<italic>m</italic>, 2 and <italic>m</italic>, respectively. The Co<sup>2+</sup> ion adopts an octahedral coordination geometry in which four N atoms from azide ligands lie in the equatorial plane and two 4-DMAP N atoms occupy the axial positions. The Co<sup>II</sup> atoms are connected by two bridging azide ligands, resulting in a chain parallel to the <italic>c</italic> axis.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature
</title><p>For applications of coordination polymers, see: Fujita <italic>et al.</italic> (1994<xref ref-type="bibr" rid="bb5"> ▶</xref>); Hagrman <italic>et al.</italic> (1999<xref ref-type="bibr" rid="bb6"> ▶</xref>); Hoskins & Robson (1990<xref ref-type="bibr" rid="bb7"> ▶</xref>); Yaghi & Li (1995<xref ref-type="bibr" rid="bb11"> ▶</xref>). For a related Cu complex, see: Dalai <italic>et al.</italic> (2002<xref ref-type="bibr" rid="bb3"> ▶</xref>).<chem-struct id="scheme1"><graphic xlink:href="e-69-0m175-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"><list-item><p>[Co(N<sub>3</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)<sub>2</sub>]</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 387.33</p></list-item><list-item><p>Orthorhombic, <inline-formula><inline-graphic xlink:href="e-69-0m175-efi9.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 9.622 (5) Å</p></list-item><list-item><p><italic>b</italic> = 18.404 (5) Å</p></list-item><list-item><p><italic>c</italic> = 9.734 (5) Å</p></list-item><list-item><p><italic>V</italic> = 1723.7 (13) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 4</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 1.02 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"><list-item><p>Bruker APEXII diffractometer</p></list-item><list-item><p>5192 measured reflections</p></list-item><list-item><p>1393 independent reflections</p></list-item><list-item><p>1099 reflections with <italic>I</italic> > 2σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.031</p></list-item></list></p></sec><sec id="sec2.1.3"><title>Refinement
</title><p><list list-type="simple"><list-item><p><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.032</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.086</p></list-item><list-item><p><italic>S</italic> = 1.07</p></list-item><list-item><p>1393 reflections</p></list-item><list-item><p>79 parameters</p></list-item><list-item><p>H-atom parameters constrained</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.43 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.37 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e586"><title></title><p>Data collection: <italic>APEX2</italic> (Bruker, 2006<xref ref-type="bibr" rid="bb1"> ▶</xref>); cell refinement: <italic>SAINT</italic> (Bruker, 2006<xref ref-type="bibr" rid="bb1"> ▶</xref>); data reduction: <italic>SAINT</italic>; program(s) used to solve structure: <italic>SIR2002</italic> (Burla <italic>et al.</italic>, 2003<xref ref-type="bibr" rid="bb2"> ▶</xref>); program(s) used to refine structure: <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb10"> ▶</xref>); molecular graphics: <italic>ORTEP-3 for Windows</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb4"> ▶</xref>); software used to prepare material for publication: <italic>WinGX</italic> (Farrugia, 2012<xref ref-type="bibr" rid="bb4"> ▶</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="local-data"><media xlink:href="e-69-0m175-sup1.cif" mimetype="text" mime-subtype="plain"><caption><p>Click here for additional data file.</p></caption></media><p>Crystal structure: contains datablock(s) global, I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813005205/vm2189sup1.cif">10.1107/S1600536813005205/vm2189sup1.cif</ext-link></p><media xlink:href="e-69-0m175-sup1.cif" xlink:type="simple" id="d34e167" position="anchor" mimetype="text" mime-subtype="plain"></media></supplementary-material><supplementary-material content-type="local-data"><media xlink:href="e-69-0m175-Isup2.hkl" mimetype="text" mime-subtype="plain"><caption><p>Click here for additional data file.</p></caption></media><p>Structure factors: contains datablock(s) I. DOI: <ext-link ext-link-type="uri" xlink:href="http://dx.doi.org/10.1107/S1600536813005205/vm2189Isup2.hkl">10.1107/S1600536813005205/vm2189Isup2.hkl</ext-link></p><media xlink:href="e-69-0m175-Isup2.hkl" xlink:type="simple" id="d34e174" position="anchor" mimetype="text" mime-subtype="plain"></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?vm2189&file=vm2189sup0.html&mime=text/html"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?vm2189sup1&Qmime=cif">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?vm2189&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?vm2189">VM2189</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 also 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, Algérie) <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 chemistry of coordination polymers has evolved rapidly in recent years and
a variety of topologies has been constructed through ligand design and the use
of different transition metal geometries. These polymers may have interesting
properties and applications, <italic>e.g.</italic> adsorption, ion exchange, non-linear
optical and magnetic materials (Hoskins <italic>et al.</italic>, 1990; Fujita
<italic>et
al.</italic>, 1994; Yaghi & Li, 1995; Hagrman <italic>et al.</italic>,
1999).</p><p>Pseudohalide anions are excellent ligands for obtaining discrete,
one-dimensional, two-dimensional or three-dimensional systems. Among these,
the azido ligand is the most versatile in linking divalent metal ions. When
the azide group acts as bridging ligand there are two typical coordination
modes: end-to-end (EE or µ-1,3) in which the resulting complexes usually
shows ferromagnetic behavior, and end-on (EO or µ-1,1) which results in
antiferromagnetic behavior.</p><p>In the course of our investigation of functional coordination complexes and
polymers, a new azide-bridged coordination polymer with
4-dimethylaminopyridine has been prepared and structurally characterized.</p><p>Part of the structure of (I) with the atom numbering scheme is shown in Figure
1. The structure consists of layers of cobalt atoms linked by double
end-to-end (EE) azido bridges, placed along the [001] direction at <italic>b</italic> =
0 and <italic>b</italic> = 1/2, forming a one-dimensional polymeric chain with each
cobalt(II) ion in an octahedral environment (Fig. 2). In the crystal, parallel
one-dimensional polymers form a three-dimensional network. The minimum
interdinuclear Co···Co distance bridged by the EE-azido ligands is 5.097 (2) Å. In this structure, the ligand <italic>L</italic> displays monodentate binding to
Co<sup>II</sup>.</p><p>The octahedral coordination around the cobalt(II) atoms (Fig. 3, Table 1)
consists of two <italic>L</italic> ligands coordinated <italic>via</italic> the pyridine nitrogen
atom which occupy the axial positions (Co—N1A = 2.110 (3) Å and Co—N1B =
2.135 (3) Å) and four azide bridges in the equatorial plane (Co—N1 =
2.1764 (19) Å) which act as symmetrical end-to-end (µ-1,3) double bridges
betwee two neighboring cobalt atoms.</p><p>This structure can be compared with that observed for [Cu(<italic>L</italic>)2(N3)2]n
(<italic>L</italic>: 4-dimethylaminopyridine (Dalai <italic>et al.</italic>, 2002), which
shows
also double end-to-end (EE) azido bridges. Here each copper is bonded to two
nitrogen atoms of the pyridine ligands (1.999 (7) Å, 2.014 (7) Å) and two
nitrogen atoms of the azide (2.029 (5) Å). There are also two weak
attachments to two nitrogen atoms of the azide (2.611 (6) Å) in axial
positions to create a doubl EE-bridged one-dimensional polymer with each
copper(II) ion in a pseudo-octahedral environment. The distance between two
neighboring copper ions is 5.20 (1) Å.</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. Pink crystals were obtained by slow
evaporation.</p></sec><sec id="refinement"><title>Refinement </title><p>The aromatic 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).</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>View of the structure of (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are represented as spheres of arbitrary radii [symmetry codes: (i) x + 1, y, -z + 1/2; (ii) x, y, -z + 1/2; (iii) x + 1, y, z; (v) x + 1, -y + 1, -z; (vii) x + 1, -y + 1, z + 1/2; (viii) x + 1, -y + 1, z - 1/2; (ix) x, -y + 1, z - 1/2; (x) x, -y + 1, -z; (xvii) x, -y + 1, z + 1/2; (xviii) x, -y + 1, -z + 1; (xix) x + 1, -y + 1, -z + 1].</p></caption><graphic xlink:href="e-69-0m175-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>View of part of the crystal structure of (I), showing layers along the [001] direction. Hydrogen atoms are omitted for clarity.</p></caption><graphic xlink:href="e-69-0m175-fig2"></graphic></fig><fig id="Fap3"><label>Fig. 3.</label><caption><p>Part of the crystal structure, showing the octahedral coordination around the cobalt(II) atoms. Hydrogen atoms are omitted for clarity [symmetry codes: (i): -x + 1,y,-z + 1/2; (ii): x,y,-z + 1/2; (iii): -x + 1,y,z].</p></caption><graphic xlink:href="e-69-0m175-fig3"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e309"><table rules="all" frame="box" style="table-layout:fixed" summary=""><colgroup span="2"><col span="1"></col><col span="1"></col></colgroup><tr><td rowspan="1" colspan="1">[Co(N<sub>3</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>10</sub>N<sub>2</sub>)<sub>2</sub>]</td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 804</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 387.33</td><td rowspan="1" colspan="1"><italic>D</italic><sub>x</sub> = 1.493 Mg m<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">Orthorhombic, <italic>C</italic><italic>m</italic><italic>c</italic><italic>m</italic></td><td rowspan="1" colspan="1">Mo <italic>K</italic>α radiation, λ = 0.71073 Å</td></tr><tr><td rowspan="1" colspan="1">Hall symbol: -C 2c 2</td><td rowspan="1" colspan="1">Cell parameters from 1393 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 9.622 (5) Å</td><td rowspan="1" colspan="1">θ = 3.1–30.0°</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 18.404 (5) Å</td><td rowspan="1" colspan="1">µ = 1.02 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 9.734 (5) Å</td><td rowspan="1" colspan="1"><italic>T</italic> = 293 K</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 1723.7 (13) Å<sup>3</sup></td><td rowspan="1" colspan="1">Needle, pink</td></tr><tr><td rowspan="1" colspan="1"><italic>Z</italic> = 4</td><td rowspan="1" colspan="1">0.1 × 0.09 × 0.08 mm</td></tr></table></table-wrap></sec><sec id="tablewrapdatacollectionlong"><title>Data collection</title><table-wrap position="anchor" id="d1e441"><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">1099 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> = 0.031</td></tr><tr><td rowspan="1" colspan="1">Graphite monochromator</td><td rowspan="1" colspan="1">θ<sub>max</sub> = 30.0°, θ<sub>min</sub> = 3.1°</td></tr><tr><td rowspan="1" colspan="1">φ scans</td><td rowspan="1" colspan="1"><italic>h</italic> = −11→13</td></tr><tr><td rowspan="1" colspan="1">5192 measured reflections</td><td rowspan="1" colspan="1"><italic>k</italic> = −25→25</td></tr><tr><td rowspan="1" colspan="1">1393 independent reflections</td><td rowspan="1" colspan="1"><italic>l</italic> = −9→13</td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e536"><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>)] = 0.032</td><td rowspan="1" colspan="1"><italic>w</italic> = 1/[σ<sup>2</sup>(<italic>F</italic><sub>o</sub><sup>2</sup>) + (0.0383<italic>P</italic>)<sup>2</sup> + 1.0521<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>) = 0.086</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> < 0.001</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.07</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.43 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">1393 reflections</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.37 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">79 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="d1e687"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Geometry. Bond distances, angles <italic>etc</italic>. have been calculated using the rounded
fractional coordinates. All su's are estimated from the variances of the
(full) variance-covariance matrix. The cell e.s.d.'s 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="d1e789"><table rules="all" frame="box" style="table-layout:fixed" summary=""><tr><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"><italic>x</italic></td><td rowspan="1" colspan="1"><italic>y</italic></td><td rowspan="1" colspan="1"><italic>z</italic></td><td rowspan="1" colspan="1"><italic>U</italic><sub>iso</sub>*/<italic>U</italic><sub>eq</sub></td><td rowspan="1" colspan="1">Occ. (<1)</td></tr><tr><td rowspan="1" colspan="1">Co</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.45887 (2)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0257 (1)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.33908 (16)</td><td rowspan="1" colspan="1">0.45953 (7)</td><td rowspan="1" colspan="1">0.09288 (16)</td><td rowspan="1" colspan="1">0.0355 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.34420 (13)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0267 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N1B</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.57488 (14)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0279 (8)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.34145 (19)</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.00000</td><td rowspan="1" colspan="1">0.0263 (5)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.11621 (15)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0383 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">N2B</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.80246 (14)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0358 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.07558 (14)</td><td rowspan="1" colspan="1">0.1240 (3)</td><td rowspan="1" colspan="1">0.0536 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C1B</td><td rowspan="1" colspan="1">0.6285 (3)</td><td rowspan="1" colspan="1">0.84282 (14)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0514 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.19006 (16)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0280 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C2B</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.72899 (16)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0264 (9)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.23072 (12)</td><td rowspan="1" colspan="1">0.1278 (3)</td><td rowspan="1" colspan="1">0.0315 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C3B</td><td rowspan="1" colspan="1">0.6237 (2)</td><td rowspan="1" colspan="1">0.68797 (12)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0318 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.30567 (12)</td><td rowspan="1" colspan="1">0.1330 (3)</td><td rowspan="1" colspan="1">0.0311 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">C4B</td><td rowspan="1" colspan="1">0.6178 (2)</td><td rowspan="1" colspan="1">0.61381 (12)</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0313 (7)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1B1</td><td rowspan="1" colspan="1">0.60862</td><td rowspan="1" colspan="1">0.89393</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0769*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1B2</td><td rowspan="1" colspan="1">0.68126</td><td rowspan="1" colspan="1">0.83069</td><td rowspan="1" colspan="1">0.16947</td><td rowspan="1" colspan="1">0.0769*</td><td rowspan="1" colspan="1">0.500</td></tr><tr><td rowspan="1" colspan="1">H1B3</td><td rowspan="1" colspan="1">0.68126</td><td rowspan="1" colspan="1">0.83069</td><td rowspan="1" colspan="1">0.33053</td><td rowspan="1" colspan="1">0.0769*</td><td rowspan="1" colspan="1">0.500</td></tr><tr><td rowspan="1" colspan="1">H3A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.20711</td><td rowspan="1" colspan="1">0.04332</td><td rowspan="1" colspan="1">0.0377*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3B</td><td rowspan="1" colspan="1">0.70933</td><td rowspan="1" colspan="1">0.71138</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0382*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1A1</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.02454</td><td rowspan="1" colspan="1">0.14436</td><td rowspan="1" colspan="1">0.0805*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4A</td><td rowspan="1" colspan="1">0.50000</td><td rowspan="1" colspan="1">0.33101</td><td rowspan="1" colspan="1">0.05031</td><td rowspan="1" colspan="1">0.0373*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4B</td><td rowspan="1" colspan="1">0.70142</td><td rowspan="1" colspan="1">0.58851</td><td rowspan="1" colspan="1">0.25000</td><td rowspan="1" colspan="1">0.0376*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1A2</td><td rowspan="1" colspan="1">0.58146</td><td rowspan="1" colspan="1">0.08752</td><td rowspan="1" colspan="1">0.07175</td><td rowspan="1" colspan="1">0.0805*</td><td rowspan="1" colspan="1">0.500</td></tr><tr><td rowspan="1" colspan="1">H1A3</td><td rowspan="1" colspan="1">0.41854</td><td rowspan="1" colspan="1">0.08752</td><td rowspan="1" colspan="1">0.07175</td><td rowspan="1" colspan="1">0.0805*</td><td rowspan="1" colspan="1">0.500</td></tr></table></table-wrap></sec><sec id="tablewrapadps"><title>Atomic displacement parameters (Å<sup>2</sup>)</title><table-wrap position="anchor" id="d1e1132"><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">0.0356 (3)</td><td rowspan="1" colspan="1">0.0196 (2)</td><td rowspan="1" colspan="1">0.0218 (2)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">N1</td><td rowspan="1" colspan="1">0.0437 (8)</td><td rowspan="1" colspan="1">0.0333 (7)</td><td rowspan="1" colspan="1">0.0296 (8)</td><td rowspan="1" colspan="1">−0.0070 (6)</td><td rowspan="1" colspan="1">−0.0062 (7)</td><td rowspan="1" colspan="1">0.0078 (6)</td></tr><tr><td rowspan="1" colspan="1">N1A</td><td rowspan="1" colspan="1">0.0357 (15)</td><td rowspan="1" colspan="1">0.0223 (11)</td><td rowspan="1" colspan="1">0.0222 (14)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">N1B</td><td rowspan="1" colspan="1">0.0291 (14)</td><td rowspan="1" colspan="1">0.0221 (12)</td><td rowspan="1" colspan="1">0.0324 (16)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">N2</td><td rowspan="1" colspan="1">0.0259 (9)</td><td rowspan="1" colspan="1">0.0259 (8)</td><td rowspan="1" colspan="1">0.0270 (10)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.0017 (8)</td></tr><tr><td rowspan="1" colspan="1">N2A</td><td rowspan="1" colspan="1">0.0530 (19)</td><td rowspan="1" colspan="1">0.0234 (13)</td><td rowspan="1" colspan="1">0.0385 (18)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">N2B</td><td rowspan="1" colspan="1">0.0355 (15)</td><td rowspan="1" colspan="1">0.0209 (12)</td><td rowspan="1" colspan="1">0.051 (2)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">C1A</td><td rowspan="1" colspan="1">0.074 (2)</td><td rowspan="1" colspan="1">0.0299 (13)</td><td rowspan="1" colspan="1">0.057 (2)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.0100 (13)</td></tr><tr><td rowspan="1" colspan="1">C1B</td><td rowspan="1" colspan="1">0.0459 (16)</td><td rowspan="1" colspan="1">0.0292 (12)</td><td rowspan="1" colspan="1">0.079 (2)</td><td rowspan="1" colspan="1">−0.0094 (11)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">C2A</td><td rowspan="1" colspan="1">0.0265 (15)</td><td rowspan="1" colspan="1">0.0234 (13)</td><td rowspan="1" colspan="1">0.0341 (19)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">C2B</td><td rowspan="1" colspan="1">0.0277 (15)</td><td rowspan="1" colspan="1">0.0242 (13)</td><td rowspan="1" colspan="1">0.0272 (17)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">C3A</td><td rowspan="1" colspan="1">0.0422 (13)</td><td rowspan="1" colspan="1">0.0266 (10)</td><td rowspan="1" colspan="1">0.0256 (12)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">−0.0049 (9)</td></tr><tr><td rowspan="1" colspan="1">C3B</td><td rowspan="1" colspan="1">0.0227 (10)</td><td rowspan="1" colspan="1">0.0283 (10)</td><td rowspan="1" colspan="1">0.0445 (15)</td><td rowspan="1" colspan="1">−0.0022 (8)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr><tr><td rowspan="1" colspan="1">C4A</td><td rowspan="1" colspan="1">0.0450 (13)</td><td rowspan="1" colspan="1">0.0274 (10)</td><td rowspan="1" colspan="1">0.0209 (12)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0016 (9)</td></tr><tr><td rowspan="1" colspan="1">C4B</td><td rowspan="1" colspan="1">0.0242 (11)</td><td rowspan="1" colspan="1">0.0287 (10)</td><td rowspan="1" colspan="1">0.0411 (14)</td><td rowspan="1" colspan="1">0.0036 (8)</td><td rowspan="1" colspan="1">0.0000</td><td rowspan="1" colspan="1">0.0000</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, º)</title><table-wrap position="anchor" id="d1e1417"><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—N1</td><td rowspan="1" colspan="1">2.1764 (19)</td><td rowspan="1" colspan="1">C2A—C3A</td><td rowspan="1" colspan="1">1.405 (3)</td></tr><tr><td rowspan="1" colspan="1">Co—N1A</td><td rowspan="1" colspan="1">2.110 (3)</td><td rowspan="1" colspan="1">C2A—C3A<sup>i</sup></td><td rowspan="1" colspan="1">1.405 (3)</td></tr><tr><td rowspan="1" colspan="1">Co—N1B</td><td rowspan="1" colspan="1">2.135 (3)</td><td rowspan="1" colspan="1">C2B—C3B</td><td rowspan="1" colspan="1">1.410 (3)</td></tr><tr><td rowspan="1" colspan="1">Co—N1<sup>i</sup></td><td rowspan="1" colspan="1">2.1764 (19)</td><td rowspan="1" colspan="1">C2B—C3B<sup>i</sup></td><td rowspan="1" colspan="1">1.410 (3)</td></tr><tr><td rowspan="1" colspan="1">Co—N1<sup>ii</sup></td><td rowspan="1" colspan="1">2.1764 (19)</td><td rowspan="1" colspan="1">C3A—C4A</td><td rowspan="1" colspan="1">1.380 (3)</td></tr><tr><td rowspan="1" colspan="1">Co—N1<sup>iii</sup></td><td rowspan="1" colspan="1">2.1764 (19)</td><td rowspan="1" colspan="1">C3B—C4B</td><td rowspan="1" colspan="1">1.366 (3)</td></tr><tr><td rowspan="1" colspan="1">N1—N2</td><td rowspan="1" colspan="1">1.1716 (16)</td><td rowspan="1" colspan="1">C1A—H1A1</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N1A—C4A</td><td rowspan="1" colspan="1">1.342 (3)</td><td rowspan="1" colspan="1">C1A—H1A2</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N1A—C4A<sup>i</sup></td><td rowspan="1" colspan="1">1.342 (3)</td><td rowspan="1" colspan="1">C1A—H1A3</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N1B—C4B</td><td rowspan="1" colspan="1">1.341 (3)</td><td rowspan="1" colspan="1">C1B—H1B1</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N1B—C4B<sup>i</sup></td><td rowspan="1" colspan="1">1.340 (3)</td><td rowspan="1" colspan="1">C1B—H1B2</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N2A—C1A</td><td rowspan="1" colspan="1">1.437 (3)</td><td rowspan="1" colspan="1">C1B—H1B3</td><td rowspan="1" colspan="1">0.9600</td></tr><tr><td rowspan="1" colspan="1">N2A—C2A</td><td rowspan="1" colspan="1">1.359 (4)</td><td rowspan="1" colspan="1">C3A—H3A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2A—C1A<sup>i</sup></td><td rowspan="1" colspan="1">1.437 (3)</td><td rowspan="1" colspan="1">C3B—H3B</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2B—C1B</td><td rowspan="1" colspan="1">1.442 (3)</td><td rowspan="1" colspan="1">C4A—H4A</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2B—C2B</td><td rowspan="1" colspan="1">1.352 (4)</td><td rowspan="1" colspan="1">C4B—H4B</td><td rowspan="1" colspan="1">0.9300</td></tr><tr><td rowspan="1" colspan="1">N2B—C1B<sup>i</sup></td><td rowspan="1" colspan="1">1.442 (3)</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">N1—Co—N1A</td><td rowspan="1" colspan="1">90.32 (4)</td><td rowspan="1" colspan="1">N2A—C2A—C3A<sup>i</sup></td><td rowspan="1" colspan="1">122.17 (14)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N1B</td><td rowspan="1" colspan="1">89.68 (4)</td><td rowspan="1" colspan="1">C3A—C2A—C3A<sup>i</sup></td><td rowspan="1" colspan="1">115.7 (2)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N1<sup>i</sup></td><td rowspan="1" colspan="1">179.36 (5)</td><td rowspan="1" colspan="1">N2B—C2B—C3B</td><td rowspan="1" colspan="1">122.39 (13)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N1<sup>ii</sup></td><td rowspan="1" colspan="1">89.29 (6)</td><td rowspan="1" colspan="1">N2B—C2B—C3B<sup>i</sup></td><td rowspan="1" colspan="1">122.39 (13)</td></tr><tr><td rowspan="1" colspan="1">N1—Co—N1<sup>iii</sup></td><td rowspan="1" colspan="1">90.70 (6)</td><td rowspan="1" colspan="1">C3B—C2B—C3B<sup>i</sup></td><td rowspan="1" colspan="1">115.2 (2)</td></tr><tr><td rowspan="1" colspan="1">N1A—Co—N1B</td><td rowspan="1" colspan="1">180.00</td><td rowspan="1" colspan="1">C2A—C3A—C4A</td><td rowspan="1" colspan="1">120.1 (3)</td></tr><tr><td rowspan="1" colspan="1">N1<sup>i</sup>—Co—N1A</td><td rowspan="1" colspan="1">90.32 (4)</td><td rowspan="1" colspan="1">C2B—C3B—C4B</td><td rowspan="1" colspan="1">120.00 (19)</td></tr><tr><td rowspan="1" colspan="1">N1<sup>ii</sup>—Co—N1A</td><td rowspan="1" colspan="1">90.32 (4)</td><td rowspan="1" colspan="1">N1A—C4A—C3A</td><td rowspan="1" colspan="1">124.0 (3)</td></tr><tr><td rowspan="1" colspan="1">N1<sup>iii</sup>—Co—N1A</td><td rowspan="1" colspan="1">90.32 (4)</td><td rowspan="1" colspan="1">N1B—C4B—C3B</td><td rowspan="1" colspan="1">124.68 (19)</td></tr><tr><td rowspan="1" colspan="1">N1<sup>i</sup>—Co—N1B</td><td rowspan="1" colspan="1">89.68 (4)</td><td rowspan="1" colspan="1">N2A—C1A—H1A1</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1<sup>ii</sup>—Co—N1B</td><td rowspan="1" colspan="1">89.68 (4)</td><td rowspan="1" colspan="1">N2A—C1A—H1A2</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1<sup>iii</sup>—Co—N1B</td><td rowspan="1" colspan="1">89.68 (4)</td><td rowspan="1" colspan="1">N2A—C1A—H1A3</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1<sup>i</sup>—Co—N1<sup>ii</sup></td><td rowspan="1" colspan="1">90.70 (6)</td><td rowspan="1" colspan="1">H1A1—C1A—H1A2</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1<sup>i</sup>—Co—N1<sup>iii</sup></td><td rowspan="1" colspan="1">89.29 (6)</td><td rowspan="1" colspan="1">H1A1—C1A—H1A3</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">N1<sup>ii</sup>—Co—N1<sup>iii</sup></td><td rowspan="1" colspan="1">179.36 (5)</td><td rowspan="1" colspan="1">H1A2—C1A—H1A3</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">Co—N1—N2</td><td rowspan="1" colspan="1">122.14 (12)</td><td rowspan="1" colspan="1">N2B—C1B—H1B1</td><td rowspan="1" colspan="1">110.00</td></tr><tr><td rowspan="1" colspan="1">Co—N1A—C4A</td><td rowspan="1" colspan="1">121.91 (14)</td><td rowspan="1" colspan="1">N2B—C1B—H1B2</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">Co—N1A—C4A<sup>i</sup></td><td rowspan="1" colspan="1">121.91 (14)</td><td rowspan="1" colspan="1">N2B—C1B—H1B3</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C4A—N1A—C4A<sup>i</sup></td><td rowspan="1" colspan="1">116.2 (2)</td><td rowspan="1" colspan="1">H1B1—C1B—H1B2</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">Co—N1B—C4B</td><td rowspan="1" colspan="1">122.30 (13)</td><td rowspan="1" colspan="1">H1B1—C1B—H1B3</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">Co—N1B—C4B<sup>i</sup></td><td rowspan="1" colspan="1">122.32 (13)</td><td rowspan="1" colspan="1">H1B2—C1B—H1B3</td><td rowspan="1" colspan="1">109.00</td></tr><tr><td rowspan="1" colspan="1">C4B—N1B—C4B<sup>i</sup></td><td rowspan="1" colspan="1">115.4 (2)</td><td rowspan="1" colspan="1">C2A—C3A—H3A</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">N1—N2—N1<sup>iv</sup></td><td rowspan="1" colspan="1">177.8 (2)</td><td rowspan="1" colspan="1">C4A—C3A—H3A</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C1A—N2A—C2A</td><td rowspan="1" colspan="1">121.37 (14)</td><td rowspan="1" colspan="1">C2B—C3B—H3B</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C1A—N2A—C1A<sup>i</sup></td><td rowspan="1" colspan="1">117.3 (2)</td><td rowspan="1" colspan="1">C4B—C3B—H3B</td><td rowspan="1" colspan="1">120.00</td></tr><tr><td rowspan="1" colspan="1">C1A<sup>i</sup>—N2A—C2A</td><td rowspan="1" colspan="1">121.37 (14)</td><td rowspan="1" colspan="1">N1A—C4A—H4A</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C1B—N2B—C2B</td><td rowspan="1" colspan="1">121.00 (14)</td><td rowspan="1" colspan="1">C3A—C4A—H4A</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C1B—N2B—C1B<sup>i</sup></td><td rowspan="1" colspan="1">118.0 (2)</td><td rowspan="1" colspan="1">N1B—C4B—H4B</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">C1B<sup>i</sup>—N2B—C2B</td><td rowspan="1" colspan="1">121.00 (14)</td><td rowspan="1" colspan="1">C3B—C4B—H4B</td><td rowspan="1" colspan="1">118.00</td></tr><tr><td rowspan="1" colspan="1">N2A—C2A—C3A</td><td rowspan="1" colspan="1">122.17 (14)</td><td rowspan="1" colspan="1"></td><td rowspan="1" colspan="1"></td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>+1, <italic>y</italic>, −<italic>z</italic>+1/2; (ii) <italic>x</italic>, <italic>y</italic>, −<italic>z</italic>+1/2; (iii) −<italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>; (iv) <italic>x</italic>, −<italic>y</italic>+1, −<italic>z</italic>.</p></sec></app></app-group><ref-list><title>References</title><ref id="bb1"><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="bb2"><mixed-citation publication-type="other">Burla, M. C., Camalli, M., Carrozzini, B., Cascarano, G. L., Giacovazzo, C., Polidori, G. & Spagna, R. (2003). <italic>J. Appl. Cryst.</italic><bold>36</bold>, 1103.</mixed-citation></ref><ref id="bb3"><mixed-citation publication-type="other">Dalai, S., Mukherjee, P. S., Mallah, T., Drew, M. G. B. & Chaudhuri, N. R. (2002). <italic>Inorg. Chem. Commun.</italic><bold>5</bold>, 472–474.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Farrugia, L. J. (2012). <italic>J. Appl. Cryst.</italic><bold>45</bold>, 849–854.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Fujita, M., Kwan, Y. J., Washizu, S. & Ogura, K. (1994). <italic>J. Am. Chem. Soc.</italic><bold>116</bold>, 1151–1152.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Hagrman, P. J., Hagrman, D. & Zubieta, J. (1999). <italic>Angew. Chem. Int. Ed. Engl.</italic><bold>38</bold>, 2638–2684.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Hoskins, B. F. & Robson, R. (1990). <italic>J. Am. Chem. Soc.</italic><bold>112</bold>, 1564–1575.</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">Sheldrick, G. M. (2008). <italic>Acta Cryst.</italic> A<bold>64</bold>, 112–122.</mixed-citation></ref><ref id="bb11"><mixed-citation publication-type="other">Yaghi, O. M. & Li, J. (1995). <italic>J. Am. Chem. Soc.</italic><bold>117</bold>, 10401–10402.</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—N1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.1764 (19)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N1<italic>A</italic></td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.110 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co—N1<italic>B</italic></td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.135 (3)</td></tr></tbody></table></table-wrap></floats-group></pmc></record>Pour manipuler ce document sous Unix (Dilib)
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