Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ3O,O′:O′′)(2-carboxyacetato-κO)di-μ-chlorido-dicobalt(II)]
Identifieur interne : 000037 ( Pmc/Checkpoint ); précédent : 000036; suivant : 000038Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ3O,O′:O′′)(2-carboxyacetato-κO)di-μ-chlorido-dicobalt(II)]
Auteurs : Yasmina Bouaoud [Algérie] ; Zouaoui Setifi [Algérie] ; Andrii Buvailo [Ukraine] ; Vadim A. Potaskalov [Ukraine] ; Hocine Merazig [Algérie] ; Georges Dénés [Canada]Source :
- Acta Crystallographica Section E: Crystallographic Communications [ 2056-9890 ] ; 2016.
Abstract
In the title coordination polymer, [Co(C3H3O4)Cl(H2O)]
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DOI: 10.1107/S2056989015023269
PubMed: 26870577
PubMed Central: 4704765
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ<sup>3</sup><italic>O</italic>,<italic>O</italic>′:<italic>O</italic>′′)(2-carboxyacetato-κ<italic>O</italic>)di-μ-chlorido-dicobalt(II)]</title><author><name sortKey="Bouaoud, Yasmina" sort="Bouaoud, Yasmina" uniqKey="Bouaoud Y" first="Yasmina" last="Bouaoud">Yasmina Bouaoud</name><affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, Constantine 25000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Setifi, Zouaoui" sort="Setifi, Zouaoui" uniqKey="Setifi Z" first="Zouaoui" last="Setifi">Zouaoui Setifi</name><affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, Constantine 25000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="b">Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Buvailo, Andrii" sort="Buvailo, Andrii" uniqKey="Buvailo A" first="Andrii" last="Buvailo">Andrii Buvailo</name><affiliation wicri:level="1"><nlm:aff id="c">National Taras Shevchenko University of Kyiv, Department of Chemistry, Volodymyrska str. 64, 01601 Kiev,<country>Ukraine</country></nlm:aff><country xml:lang="fr">Ukraine</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="d">SciMax LLC, 2 Marshala Yakubovskogo str. 03191, Kyiv,<country>Ukraine</country></nlm:aff><country xml:lang="fr">Ukraine</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Potaskalov, Vadim A" sort="Potaskalov, Vadim A" uniqKey="Potaskalov V" first="Vadim A." last="Potaskalov">Vadim A. Potaskalov</name><affiliation wicri:level="1"><nlm:aff id="e">Department of General and Inorganic Chemistry, National Technical University of Ukraine, ‘Kyiv Polytechnic Institute’, 37 Prospect Peremogy, 03056 Kiev,<country>Ukraine</country></nlm:aff><country xml:lang="fr">Ukraine</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name><affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, Constantine 25000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Denes, Georges" sort="Denes, Georges" uniqKey="Denes G" first="Georges" last="Dénés">Georges Dénés</name><affiliation wicri:level="1"><nlm:aff id="f">Laboratory of Solid State Chemistry and Mössbauer Spectroscopy, Laboratories for Inorganic Materials, Department of Chemistry and Biochemistry, Concordia University, Montréal, Québec, H3G 1M8,<country>Canada</country></nlm:aff><country xml:lang="fr">Canada</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">26870577</idno><idno type="pmc">4704765</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704765</idno><idno type="RBID">PMC:4704765</idno><idno type="doi">10.1107/S2056989015023269</idno><date when="2016">2016</date><idno type="wicri:Area/Pmc/Corpus">000054</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000054</idno><idno type="wicri:Area/Pmc/Curation">000054</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000054</idno><idno type="wicri:Area/Pmc/Checkpoint">000037</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">000037</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ<sup>3</sup><italic>O</italic>,<italic>O</italic>′:<italic>O</italic>′′)(2-carboxyacetato-κ<italic>O</italic>)di-μ-chlorido-dicobalt(II)]</title><author><name sortKey="Bouaoud, Yasmina" sort="Bouaoud, Yasmina" uniqKey="Bouaoud Y" first="Yasmina" last="Bouaoud">Yasmina Bouaoud</name><affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, Constantine 25000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Setifi, Zouaoui" sort="Setifi, Zouaoui" uniqKey="Setifi Z" first="Zouaoui" last="Setifi">Zouaoui Setifi</name><affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, Constantine 25000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="b">Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Buvailo, Andrii" sort="Buvailo, Andrii" uniqKey="Buvailo A" first="Andrii" last="Buvailo">Andrii Buvailo</name><affiliation wicri:level="1"><nlm:aff id="c">National Taras Shevchenko University of Kyiv, Department of Chemistry, Volodymyrska str. 64, 01601 Kiev,<country>Ukraine</country></nlm:aff><country xml:lang="fr">Ukraine</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation><affiliation wicri:level="1"><nlm:aff id="d">SciMax LLC, 2 Marshala Yakubovskogo str. 03191, Kyiv,<country>Ukraine</country></nlm:aff><country xml:lang="fr">Ukraine</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Potaskalov, Vadim A" sort="Potaskalov, Vadim A" uniqKey="Potaskalov V" first="Vadim A." last="Potaskalov">Vadim A. Potaskalov</name><affiliation wicri:level="1"><nlm:aff id="e">Department of General and Inorganic Chemistry, National Technical University of Ukraine, ‘Kyiv Polytechnic Institute’, 37 Prospect Peremogy, 03056 Kiev,<country>Ukraine</country></nlm:aff><country xml:lang="fr">Ukraine</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name><affiliation wicri:level="1"><nlm:aff id="a">Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, Constantine 25000,<country>Algeria</country></nlm:aff><country xml:lang="fr">Algérie</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Denes, Georges" sort="Denes, Georges" uniqKey="Denes G" first="Georges" last="Dénés">Georges Dénés</name><affiliation wicri:level="1"><nlm:aff id="f">Laboratory of Solid State Chemistry and Mössbauer Spectroscopy, Laboratories for Inorganic Materials, Department of Chemistry and Biochemistry, Concordia University, Montréal, Québec, H3G 1M8,<country>Canada</country></nlm:aff><country xml:lang="fr">Canada</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Crystallographic Communications</title><idno type="eISSN">2056-9890</idno><imprint><date when="2016">2016</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title coordination polymer, [Co(C<sub>3</sub>H<sub>3</sub>O<sub>4</sub>)Cl(H<sub>2</sub>O)]<sub><italic>n</italic></sub>, the sixfold coordination environment of the Co<sup>II</sup> atom consists of two O atoms from a chelating hydrogen malonate anion (HMal<sup>−</sup>), one O atom originating from a μ<sub>2</sub>-bridging malonate ligand (HMal<sup>−</sup>), one O atom from a water molecule and two μ<sub>2</sub>-bridging Cl<sup>−</sup> atoms, connecting neighbouring Co<sub>2</sub>Cl<sub>4</sub> motifs into a two-dimensional polymer extending parallel to (001). Interlayer O—H⋯O hydrogen bonds link the layers into a three-dimensional network.</p></div></front><back><div1 type="bibliography"><listBibl><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><biblStruct></biblStruct><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 E Crystallogr Commun</journal-id><journal-id journal-id-type="iso-abbrev">Acta Crystallogr E Crystallogr Commun</journal-id><journal-id journal-id-type="publisher-id">Acta Cryst. E</journal-id><journal-title-group><journal-title>Acta Crystallographica Section E: Crystallographic Communications</journal-title></journal-title-group><issn pub-type="epub">2056-9890</issn><publisher><publisher-name>International Union of Crystallography</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="pmid">26870577</article-id><article-id pub-id-type="pmc">4704765</article-id><article-id pub-id-type="publisher-id">wm5235</article-id><article-id pub-id-type="doi">10.1107/S2056989015023269</article-id><article-id pub-id-type="coden">ACSECI</article-id><article-id pub-id-type="pii">S2056989015023269</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Communications</subject></subj-group></article-categories><title-group><article-title>Crystal structure of poly[diaqua(μ-2-carboxyacetato-κ<sup>3</sup><italic>O</italic>,<italic>O</italic>′:<italic>O</italic>′′)(2-carboxyacetato-κ<italic>O</italic>)di-μ-chlorido-dicobalt(II)]</article-title><alt-title><italic>[Co<sub>2</sub>(C<sub>3</sub>H<sub>3</sub>O<sub>4</sub>)<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Bouaoud</surname><given-names>Yasmina</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Setifi</surname><given-names>Zouaoui</given-names></name><xref ref-type="aff" rid="a">a</xref><xref ref-type="aff" rid="b">b</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><contrib contrib-type="author"><name><surname>Buvailo</surname><given-names>Andrii</given-names></name><xref ref-type="aff" rid="c">c</xref><xref ref-type="aff" rid="d">d</xref><xref ref-type="corresp" rid="cor">*</xref></contrib><contrib contrib-type="author"><name><surname>Potaskalov</surname><given-names>Vadim A.</given-names></name><xref ref-type="aff" rid="e">e</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><contrib contrib-type="author"><name><surname>Dénés</surname><given-names>Georges</given-names></name><xref ref-type="aff" rid="f">f</xref></contrib><aff id="a"><label>a</label>Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale (CHEMS), Université Constantine 1, Constantine 25000,<country>Algeria</country></aff><aff id="b"><label>b</label>Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000,<country>Algeria</country></aff><aff id="c"><label>c</label>National Taras Shevchenko University of Kyiv, Department of Chemistry, Volodymyrska str. 64, 01601 Kiev,<country>Ukraine</country></aff><aff id="d"><label>d</label>SciMax LLC, 2 Marshala Yakubovskogo str. 03191, Kyiv,<country>Ukraine</country></aff><aff id="e"><label>e</label>Department of General and Inorganic Chemistry, National Technical University of Ukraine, ‘Kyiv Polytechnic Institute’, 37 Prospect Peremogy, 03056 Kiev,<country>Ukraine</country></aff><aff id="f"><label>f</label>Laboratory of Solid State Chemistry and Mössbauer Spectroscopy, Laboratories for Inorganic Materials, Department of Chemistry and Biochemistry, Concordia University, Montréal, Québec, H3G 1M8,<country>Canada</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>setifi_zouaoui@yahoo.fr</email>, <email>futureintentions@gmail.com</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>1</month><year>2016</year></pub-date><pub-date pub-type="epub"><day>01</day><month>1</month><year>2016</year></pub-date><pub-date pub-type="pmc-release"><day>01</day><month>1</month><year>2016</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>72</volume><issue>Pt 1</issue><issue-id pub-id-type="publisher-id">e160100</issue-id><fpage>21</fpage><lpage>24</lpage><history><date date-type="received"><day>02</day><month>11</month><year>2015</year></date><date date-type="accepted"><day>03</day><month>12</month><year>2015</year></date></history><permissions><copyright-statement>© Bouaoud et al. 2016</copyright-statement><copyright-year>2016</copyright-year><license license-type="open-access" xlink:href="http://creativecommons.org/licenses/by/2.0/uk/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits
unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.</license-p></license></permissions><self-uri xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S2056989015023269">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract abstract-type="toc"><p>In the title coordination polymer, [Co(C<sub>3</sub>H<sub>3</sub>O<sub>4</sub>)Cl(H<sub>2</sub>O)]<sub><italic>n</italic></sub>, the sixfold coordination environment of the Co<sup>II</sup> atom consists of two O atoms from a chelating hydrogen malonate anion (HMal<sup>−</sup>), one O atom originating from a μ<sub>2</sub>-bridging malonate ligand (HMal<sup>−</sup>), one O atom from a water molecule and two μ<sub>2</sub>-bridging Cl<sup>−</sup> atoms, connecting neighbouring Co<sub>2</sub>Cl<sub>4</sub> motifs into a two-dimensional polymer extending parallel to (001). Interlayer O—H⋯O hydrogen bonds link the layers into a three-dimensional network.</p></abstract><abstract><p>The asymmetric unit of the title polymer, [Co<sub>2</sub>(C<sub>3</sub>H<sub>3</sub>O<sub>4</sub>)<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]<sub><italic>n</italic></sub>, comprises one Co<sup>II</sup> atom, one water molecule, one singly deprotonated malonic acid molecule (HMal<sup>−</sup>; systematic name 2-carboxyacetate) and one Cl<sup>−</sup> anion. The Co<sup>II</sup> atom is octahedrally coordinated by the O atom of a water molecule, by one terminally bound carboxylate O atom of an HMal<sup>−</sup> anion and by two O atoms of a chelating HMal<sup>−</sup> anion, as well as by two Cl<sup>−</sup> anions. The Cl<sup>−</sup> anions bridge two Co<sup>II</sup> atoms, forming a centrosymmetric Co<sub>2</sub>Cl<sub>2</sub> core. Each malonate ligand is involved in the formation of six-membered chelate rings involving one Co<sup>II</sup> atom of the dinuclear unit and at the same time is coordinating to another Co<sup>II</sup> atom of a neighbouring dinuclear unit in a bridging mode. The combination of chelating and bridging coordination modes leads to the formation of a two-dimensional coordination polymer extending parallel to (001). Within a layer, O—H<sub>water</sub>⋯Cl and O—H<sub>water</sub>⋯O hydrogen bonds are present. Adjacent layers are linked through O—H⋯O=C hydrogen bonds involving the carboxylic acid OH and carbonyl groups. </p></abstract><kwd-group><kwd>crystal structure</kwd><kwd>malonate</kwd><kwd>cobalt</kwd><kwd>coordination polymer</kwd></kwd-group></article-meta></front><floats-group><fig id="fig1" position="float"><label>Figure 1</label><caption><p>A fragment of the title coordination polymer, showing the atom labelling. All H atoms, except those of hydroxy groups, have been omitted for clarity. Displacement ellipsoids are drawn at the 30% probability level. The intralayer O—H⋯Cl hydrogen bonds are shown as dashed lines. [Symmetry codes: (a) <inline-formula><inline-graphic xlink:href="e-72-00021-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> + <italic>x</italic>, <inline-formula><inline-graphic xlink:href="e-72-00021-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> − <italic>y</italic>, 1 − <italic>z</italic>; (b) 1 − <italic>x</italic>, 1 − <italic>y</italic>, 1 − <italic>z</italic>; (c) <inline-formula><inline-graphic xlink:href="e-72-00021-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> − <italic>x</italic>, −<inline-formula><inline-graphic xlink:href="e-72-00021-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> + <italic>y</italic>, <italic>z</italic>; (d) <inline-formula><inline-graphic xlink:href="e-72-00021-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> − <italic>x</italic>, <inline-formula><inline-graphic xlink:href="e-72-00021-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula> + <italic>y</italic>, <italic>z</italic>.]</p></caption><graphic xlink:href="e-72-00021-fig1"></graphic></fig><fig id="fig2" position="float"><label>Figure 2</label><caption><p>A view of the polymeric coordination layer in the crystal of the title compound, extending parallel to (001).</p></caption><graphic xlink:href="e-72-00021-fig2"></graphic></fig><fig id="fig3" position="float"><label>Figure 3</label><caption><p>A view along [010] of the crystal packing of the title compound showing the inter- and intralayer hydrogen-bonding system (dashed lines).</p></caption><graphic xlink:href="e-72-00021-fig3"></graphic></fig><table-wrap id="table1" position="float"><label>Table 1</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 rowspan="1" colspan="1" align="left" valign="top">O2—H1<italic>O</italic>2⋯O5<sup>i</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.93</td><td rowspan="1" colspan="1" align="left" valign="top">1.94</td><td rowspan="1" colspan="1" align="left" valign="top">2.689 (4)</td><td rowspan="1" colspan="1" align="left" valign="top">136</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">O2—H2<italic>O</italic>2⋯Cl1<sup>ii</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.92</td><td rowspan="1" colspan="1" align="left" valign="top">2.32</td><td rowspan="1" colspan="1" align="left" valign="top">3.135 (3)</td><td rowspan="1" colspan="1" align="left" valign="top">147</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">O4—H1<italic>O</italic>4⋯O1<sup>iii</sup></td><td rowspan="1" colspan="1" align="left" valign="top">0.97</td><td rowspan="1" colspan="1" align="left" valign="top">1.67</td><td rowspan="1" colspan="1" align="left" valign="top">2.629 (4)</td><td rowspan="1" colspan="1" align="left" valign="top">169</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-72-00021-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-72-00021-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-72-00021-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap><table-wrap id="table2" position="float"><label>Table 2</label><caption><title>Experimental details</title></caption><table frame="hsides" rules="groups"><tbody valign="top"><tr><td rowspan="1" colspan="2" align="left" valign="top">Crystal data</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Chemical formula</td><td rowspan="1" colspan="1" align="left" valign="top">[Co<sub>2</sub>(C<sub>3</sub>H<sub>3</sub>O<sub>4</sub>)<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>M</italic><sub>r</sub></td><td rowspan="1" colspan="1" align="left" valign="top">430.90</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal system, space group</td><td rowspan="1" colspan="1" align="left" valign="top">Orthorhombic, <italic>P</italic><italic>b</italic><italic>c</italic><italic>a</italic></td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Temperature (K)</td><td rowspan="1" colspan="1" align="left" valign="top">296</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>a</italic>, <italic>b</italic>, <italic>c</italic> (Å)</td><td rowspan="1" colspan="1" align="left" valign="top">7.568 (5), 8.879 (5), 19.168 (5)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>V</italic> (Å<sup>3</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">1288.0 (12)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>Z</italic></td><td rowspan="1" colspan="1" align="left" valign="top">4</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Radiation type</td><td rowspan="1" colspan="1" align="left" valign="top">Mo <italic>K</italic>α</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">μ (mm<sup>−1</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">3.04</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Crystal size (mm)</td><td rowspan="1" colspan="1" align="left" valign="top">0.20 × 0.14 × 0.07</td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top"> </td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top">Data collection</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Diffractometer</td><td rowspan="1" colspan="1" align="left" valign="top">Nonius KappaCCD</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Absorption correction</td><td rowspan="1" colspan="1" align="left" valign="top">Multi-scan (<italic>SADABS</italic>; Bruker, 2004<xref ref-type="bibr" rid="bb3"> ▸</xref>)</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>T</italic><sub>min</sub>, <italic>T</italic><sub>max</sub></td><td rowspan="1" colspan="1" align="left" valign="top">0.632, 0.820</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">No. of measured, independent and observed [<italic>I</italic> > 2σ(<italic>I</italic>)] reflections</td><td rowspan="1" colspan="1" align="left" valign="top">6888, 1875, 1400</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic><sub>int</sub></td><td rowspan="1" colspan="1" align="left" valign="top">0.055</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">(sin θ/λ)<sub>max</sub> (Å<sup>−1</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">0.704</td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top"> </td></tr><tr><td rowspan="1" colspan="2" align="left" valign="top">Refinement</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)], <italic>wR</italic>(<italic>F</italic><sup>2</sup>), <italic>S</italic></td><td rowspan="1" colspan="1" align="left" valign="top">0.046, 0.116, 1.05</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">No. of reflections</td><td rowspan="1" colspan="1" align="left" valign="top">1875</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">No. of parameters</td><td rowspan="1" colspan="1" align="left" valign="top">91</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">H-atom treatment</td><td rowspan="1" colspan="1" align="left" valign="top">H-atom parameters constrained</td></tr><tr><td rowspan="1" colspan="1" align="left" valign="top">Δρ<sub>max</sub>, Δρ<sub>min</sub> (e Å<sup>−3</sup>)</td><td rowspan="1" colspan="1" align="left" valign="top">1.05, −1.00</td></tr></tbody></table><table-wrap-foot><p>Computer programs: <italic>COLLECT</italic> (Nonius, 2000<xref ref-type="bibr" rid="bb14"> ▸</xref>), <italic>DENZO</italic>/<italic>SCALEPACK</italic> (Otwinowski & Minor, 1997<xref ref-type="bibr" rid="bb15"> ▸</xref>), <italic>SHELXS97</italic> and <italic>SHELXL97</italic> (Sheldrick, 2008<xref ref-type="bibr" rid="bb19"> ▸</xref>) and <italic>DIAMOND</italic> (Brandenburg, 2010<xref ref-type="bibr" rid="bb2"> ▸</xref>).</p></table-wrap-foot></table-wrap></floats-group></pmc><affiliations><list><country><li>Algérie</li><li>Canada</li><li>Ukraine</li></country></list><tree><country name="Algérie"><noRegion><name sortKey="Bouaoud, Yasmina" sort="Bouaoud, Yasmina" uniqKey="Bouaoud Y" first="Yasmina" last="Bouaoud">Yasmina Bouaoud</name></noRegion><name sortKey="Merazig, Hocine" sort="Merazig, Hocine" uniqKey="Merazig H" first="Hocine" last="Merazig">Hocine Merazig</name><name sortKey="Setifi, Zouaoui" sort="Setifi, Zouaoui" uniqKey="Setifi Z" first="Zouaoui" last="Setifi">Zouaoui Setifi</name><name sortKey="Setifi, Zouaoui" sort="Setifi, Zouaoui" uniqKey="Setifi Z" first="Zouaoui" last="Setifi">Zouaoui Setifi</name></country><country name="Ukraine"><noRegion><name sortKey="Buvailo, Andrii" sort="Buvailo, Andrii" uniqKey="Buvailo A" first="Andrii" last="Buvailo">Andrii Buvailo</name></noRegion><name sortKey="Buvailo, Andrii" sort="Buvailo, Andrii" uniqKey="Buvailo A" first="Andrii" last="Buvailo">Andrii Buvailo</name><name sortKey="Potaskalov, Vadim A" sort="Potaskalov, Vadim A" uniqKey="Potaskalov V" first="Vadim A." last="Potaskalov">Vadim A. Potaskalov</name></country><country name="Canada"><noRegion><name sortKey="Denes, Georges" sort="Denes, Georges" uniqKey="Denes G" first="Georges" last="Dénés">Georges Dénés</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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