The triclinic form of dipotassium cobalt(II) bis(dihydrogendiphosphate) dihydrate
Identifieur interne : 000394 ( Pmc/Corpus ); précédent : 000393; suivant : 000395The triclinic form of dipotassium cobalt(II) bis(dihydrogendiphosphate) dihydrate
Auteurs : Abdellatif Lamhamdi ; Rachid Essehli ; Brahim El Bali ; Michal Dušek ; Karla FejfarováSource :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2011.
Abstract
In the title compound, K2Co(H2P2O7)2·2H2O, the octahedrally coordinated Co2+ ion lies on an inversion centre. Two bidentate dihydrogendiphosphate anions form the equatorial plane of the [CoO6] octahedron which is completed by two water molecules in axial positions. This results in isolated {Co(H2O)2[H2P2O7]2}4− entities linked into a three-dimensional network through K—O bonds and O—H⋯O hydrogen-bonding interactions involving the dihydrogendiphosphate anions and water molecules. The dihydrogendiphosphate anion, (H2P2O7)2−, is bent and shows an almost eclipsed conformation.
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DOI: 10.1107/S1600536811016345
PubMed: 21754566
PubMed Central: 3120459
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<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">The triclinic form of dipotassium cobalt(II) bis(dihydrogendiphosphate) dihydrate</title><author><name sortKey="Lamhamdi, Abdellatif" sort="Lamhamdi, Abdellatif" uniqKey="Lamhamdi A" first="Abdellatif" last="Lamhamdi">Abdellatif Lamhamdi</name><affiliation><nlm:aff id="a">Laboratory of Mineral Solid and Analytical Chemistry (LCSMA), Department of Chemistry, Faculty of Sciences, University Mohamed I, PO Box 717, 60000 Oujda,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Essehli, Rachid" sort="Essehli, Rachid" uniqKey="Essehli R" first="Rachid" last="Essehli">Rachid Essehli</name><affiliation><nlm:aff id="a">Laboratory of Mineral Solid and Analytical Chemistry (LCSMA), Department of Chemistry, Faculty of Sciences, University Mohamed I, PO Box 717, 60000 Oujda,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="El Bali, Brahim" sort="El Bali, Brahim" uniqKey="El Bali B" first="Brahim" last="El Bali">Brahim El Bali</name><affiliation><nlm:aff id="a">Laboratory of Mineral Solid and Analytical Chemistry (LCSMA), Department of Chemistry, Faculty of Sciences, University Mohamed I, PO Box 717, 60000 Oujda,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Dusek, Michal" sort="Dusek, Michal" uniqKey="Dusek M" first="Michal" last="Dušek">Michal Dušek</name><affiliation><nlm:aff id="b">Institute of Physics of the ASCR, v.v.i., Na Slovance 2, 182 21 Praha 8,<country>Czech Republic</country></nlm:aff></affiliation></author><author><name sortKey="Fejfarova, Karla" sort="Fejfarova, Karla" uniqKey="Fejfarova K" first="Karla" last="Fejfarová">Karla Fejfarová</name><affiliation><nlm:aff id="b">Institute of Physics of the ASCR, v.v.i., Na Slovance 2, 182 21 Praha 8,<country>Czech Republic</country></nlm:aff></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21754566</idno><idno type="pmc">3120459</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120459</idno><idno type="RBID">PMC:3120459</idno><idno type="doi">10.1107/S1600536811016345</idno><date when="2011">2011</date><idno type="wicri:Area/Pmc/Corpus">000394</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000394</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">The triclinic form of dipotassium cobalt(II) bis(dihydrogendiphosphate) dihydrate</title><author><name sortKey="Lamhamdi, Abdellatif" sort="Lamhamdi, Abdellatif" uniqKey="Lamhamdi A" first="Abdellatif" last="Lamhamdi">Abdellatif Lamhamdi</name><affiliation><nlm:aff id="a">Laboratory of Mineral Solid and Analytical Chemistry (LCSMA), Department of Chemistry, Faculty of Sciences, University Mohamed I, PO Box 717, 60000 Oujda,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Essehli, Rachid" sort="Essehli, Rachid" uniqKey="Essehli R" first="Rachid" last="Essehli">Rachid Essehli</name><affiliation><nlm:aff id="a">Laboratory of Mineral Solid and Analytical Chemistry (LCSMA), Department of Chemistry, Faculty of Sciences, University Mohamed I, PO Box 717, 60000 Oujda,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="El Bali, Brahim" sort="El Bali, Brahim" uniqKey="El Bali B" first="Brahim" last="El Bali">Brahim El Bali</name><affiliation><nlm:aff id="a">Laboratory of Mineral Solid and Analytical Chemistry (LCSMA), Department of Chemistry, Faculty of Sciences, University Mohamed I, PO Box 717, 60000 Oujda,<country>Morocco</country></nlm:aff></affiliation></author><author><name sortKey="Dusek, Michal" sort="Dusek, Michal" uniqKey="Dusek M" first="Michal" last="Dušek">Michal Dušek</name><affiliation><nlm:aff id="b">Institute of Physics of the ASCR, v.v.i., Na Slovance 2, 182 21 Praha 8,<country>Czech Republic</country></nlm:aff></affiliation></author><author><name sortKey="Fejfarova, Karla" sort="Fejfarova, Karla" uniqKey="Fejfarova K" first="Karla" last="Fejfarová">Karla Fejfarová</name><affiliation><nlm:aff id="b">Institute of Physics of the ASCR, v.v.i., Na Slovance 2, 182 21 Praha 8,<country>Czech Republic</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="2011">2011</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>In the title compound, K<sub>2</sub>Co(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O, the octahedrally coordinated Co<sup>2+</sup> ion lies on an inversion centre. Two bidentate dihydrogendiphosphate anions form the equatorial plane of the [CoO<sub>6</sub>] octahedron which is completed by two water molecules in axial positions. This results in isolated {Co(H<sub>2</sub>O)<sub>2</sub>[H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>]<sub>2</sub>}<sup>4−</sup> entities linked into a three-dimensional network through K—O bonds and O—H⋯O hydrogen-bonding interactions involving the dihydrogendiphosphate anions and water molecules. The dihydrogendiphosphate anion, (H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sup>2−</sup>, is bent and shows an almost eclipsed conformation.</p></div></front><back><div1 type="bibliography"><listBibl><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="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">21754566</article-id><article-id pub-id-type="pmc">3120459</article-id><article-id pub-id-type="publisher-id">wm2482</article-id><article-id pub-id-type="doi">10.1107/S1600536811016345</article-id><article-id pub-id-type="coden">ACSEBH</article-id><article-id pub-id-type="pii">S1600536811016345</article-id><article-categories><subj-group subj-group-type="heading"><subject>Inorganic Papers</subject></subj-group></article-categories><title-group><article-title>The triclinic form of dipotassium cobalt(II) bis(dihydrogendiphosphate) dihydrate</article-title><alt-title><italic>K<sub>2</sub>Co(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O</italic></alt-title></title-group><contrib-group><contrib contrib-type="author"><name><surname>Lamhamdi</surname><given-names>Abdellatif</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>Essehli</surname><given-names>Rachid</given-names></name><xref ref-type="aff" rid="a">a</xref></contrib><contrib contrib-type="author"><name><surname>El Bali</surname><given-names>Brahim</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>Dušek</surname><given-names>Michal</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><contrib contrib-type="author"><name><surname>Fejfarová</surname><given-names>Karla</given-names></name><xref ref-type="aff" rid="b">b</xref></contrib><aff id="a"><label>a</label>Laboratory of Mineral Solid and Analytical Chemistry (LCSMA), Department of Chemistry, Faculty of Sciences, University Mohamed I, PO Box 717, 60000 Oujda,<country>Morocco</country></aff><aff id="b"><label>b</label>Institute of Physics of the ASCR, v.v.i., Na Slovance 2, 182 21 Praha 8,<country>Czech Republic</country></aff></contrib-group><author-notes><corresp id="cor">Correspondence e-mail: <email>b.elbali@fso.ump.ma</email></corresp></author-notes><pub-date pub-type="collection"><day>01</day><month>6</month><year>2011</year></pub-date><pub-date pub-type="epub"><day>20</day><month>5</month><year>2011</year></pub-date><pub-date pub-type="pmc-release"><day>20</day><month>5</month><year>2011</year></pub-date><pmc-comment> PMC Release delay is 0 months and 0 days and was based on the
<volume>67</volume><issue>Pt 6</issue><issue-id pub-id-type="publisher-id">e110600</issue-id><fpage>i37</fpage><lpage>i38</lpage><history><date date-type="received"><day>13</day><month>4</month><year>2011</year></date><date date-type="accepted"><day>29</day><month>4</month><year>2011</year></date></history><permissions><copyright-statement>© Lamhamdi et al. 2011</copyright-statement><copyright-year>2011</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/S1600536811016345">A full version of this article is available from Crystallography Journals Online.</self-uri><abstract><p>In the title compound, K<sub>2</sub>Co(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O, the octahedrally coordinated Co<sup>2+</sup> ion lies on an inversion centre. Two bidentate dihydrogendiphosphate anions form the equatorial plane of the [CoO<sub>6</sub>] octahedron which is completed by two water molecules in axial positions. This results in isolated {Co(H<sub>2</sub>O)<sub>2</sub>[H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>]<sub>2</sub>}<sup>4−</sup> entities linked into a three-dimensional network through K—O bonds and O—H⋯O hydrogen-bonding interactions involving the dihydrogendiphosphate anions and water molecules. The dihydrogendiphosphate anion, (H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sup>2−</sup>, is bent and shows an almost eclipsed conformation.</p></abstract></article-meta></front><body><sec id="sec1"><title>Related literature</title><p>The triclinic title compound is isotypic with K<sub>2</sub>Ni(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O (Tahiri <italic>et al.</italic>, 2004<xref ref-type="bibr" rid="bb6"> ▶</xref>) and K<sub>2</sub>Zn(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O (Tahiri <italic>et al.</italic>, 2003<xref ref-type="bibr" rid="bb8"> ▶</xref>). For orthorhombic forms of crystals of this formula type, see: Tahiri <italic>et al.</italic> (2002<xref ref-type="bibr" rid="bb7"> ▶</xref>); Essehli <italic>et al.</italic> (2005<xref ref-type="bibr" rid="bb3"> ▶</xref>).</p></sec><sec sec-type="" 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>K<sub>2</sub>Co(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O</p></list-item><list-item><p><italic>M</italic><italic><sub>r</sub></italic> = 525.1</p></list-item><list-item><p>Triclinic, <inline-formula><inline-graphic xlink:href="e-67-00i37-efi1.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula></p></list-item><list-item><p><italic>a</italic> = 6.8737 (14) Å</p></list-item><list-item><p><italic>b</italic> = 7.3565 (11) Å</p></list-item><list-item><p><italic>c</italic> = 7.6141 (14) Å</p></list-item><list-item><p>α = 80.740 (14)°</p></list-item><list-item><p>β = 72.397 (17)°</p></list-item><list-item><p>γ = 83.484 (14)°</p></list-item><list-item><p><italic>V</italic> = 361.35 (12) Å<sup>3</sup></p></list-item><list-item><p><italic>Z</italic> = 1</p></list-item><list-item><p>Mo <italic>K</italic>α radiation</p></list-item><list-item><p>μ = 2.29 mm<sup>−1</sup></p></list-item><list-item><p><italic>T</italic> = 292 K</p></list-item><list-item><p>0.16 × 0.11 × 0.03 mm</p></list-item></list></p></sec><sec id="sec2.1.2"><title>Data collection</title><p><list list-type="simple"><list-item><p>Oxford Diffraction Xcalibur diffractometer with a Sapphire 2 CCD detector</p></list-item><list-item><p>Absorption correction: analytical based on the crystal shape (<italic>CrysAlis RED</italic>; Oxford Diffraction, 2004<xref ref-type="bibr" rid="bb4"> ▶</xref>) <italic>T</italic><sub>min</sub> = 0.648, <italic>T</italic><sub>max</sub> = 0.838</p></list-item><list-item><p>4546 measured reflections</p></list-item><list-item><p>1489 independent reflections</p></list-item><list-item><p>1013 reflections with <italic>I</italic> > 3σ(<italic>I</italic>)</p></list-item><list-item><p><italic>R</italic><sub>int</sub> = 0.054</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>)] = 0.038</p></list-item><list-item><p><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.090</p></list-item><list-item><p><italic>S</italic> = 1.17</p></list-item><list-item><p>1489 reflections</p></list-item><list-item><p>118 parameters</p></list-item><list-item><p>Only H-atom coordinates refined</p></list-item><list-item><p>Δρ<sub>max</sub> = 0.47 e Å<sup>−3</sup></p></list-item><list-item><p>Δρ<sub>min</sub> = −0.45 e Å<sup>−3</sup></p></list-item></list></p></sec></sec><sec id="d5e748"><title></title><p>Data collection: <italic>CrysAlis CCD</italic> (Oxford Diffraction, 2004<xref ref-type="bibr" rid="bb4"> ▶</xref>); cell refinement: <italic>CrysAlis RED</italic> (Oxford Diffraction, 2004<xref ref-type="bibr" rid="bb4"> ▶</xref>); data reduction: <italic>CrysAlis RED</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>JANA2006</italic> (Petříček <italic>et al.</italic>, 2006<xref ref-type="bibr" rid="bb5"> ▶</xref>); molecular graphics: <italic>DIAMOND</italic> (Brandenburg, 1999<xref ref-type="bibr" rid="bb1"> ▶</xref>); software used to prepare material for publication: <italic>JANA2006</italic>.</p></sec></sec><sec sec-type="supplementary-material"><title>Supplementary Material</title><supplementary-material content-type="local-data" xlink:href="e-67-00i37-sup1.cif" position="float" xlink:type="simple"><p>Crystal structure: contains datablocks global, I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536811016345/wm2482sup1.cif">10.1107/S1600536811016345/wm2482sup1.cif</ext-link></p><media mimetype="chemical" mime-subtype="x-cif" xlink:href="e-67-00i37-sup1.cif" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material content-type="local-data" xlink:href="e-67-00i37-Isup2.hkl" position="float" xlink:type="simple"><p>Structure factors: contains datablocks I. DOI: <ext-link ext-link-type="uri" xlink:type="simple" xlink:href="http://dx.doi.org/10.1107/S1600536811016345/wm2482Isup2.hkl">10.1107/S1600536811016345/wm2482Isup2.hkl</ext-link></p><media mimetype="text" mime-subtype="plain" xlink:href="e-67-00i37-Isup2.hkl" position="float" xlink:type="simple"></media></supplementary-material><supplementary-material position="float" xlink:type="simple"><p>Additional supplementary materials: <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendsupfiles?wm2482&file=wm2482sup0.html&mime=text/html" xlink:type="simple"> crystallographic information</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/sendcif?wm2482sup1&Qmime=cif" xlink:type="simple">3D view</ext-link>; <ext-link ext-link-type="uri" xlink:href="http://scripts.iucr.org/cgi-bin/paper?wm2482&checkcif=yes" xlink:type="simple">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?wm2482">WM2482</ext-link>).</p></fn></fn-group><ack><p>We acknowledge support by the Grant Agency of the Czech Republic, grant No. P204/11/0809.</p></ack><app-group><app><title>supplementary crystallographic
information</title><sec id="comment"><title>Comment </title><p>The triclinic form of K<sub>2</sub>Co(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub><sup>.</sup>2H<sub>2</sub>O is isotypic with
K<sub>2</sub>Ni(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub><sup>.</sup>2H<sub>2</sub>O (Tahiri <italic>et al.</italic>, 2004) and
K<sub>2</sub>Zn(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub><sup>.</sup>2H<sub>2</sub>O (Tahiri <italic>et al.</italic>, 2003). All
these
K<sub>2</sub><italic>M</italic>(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub><sup>.</sup>2H<sub>2</sub>O dihydrogendiphosphates crystallise
also in an orthorhombic form, see: Tahiri <italic>et al.</italic> (2002) for
<italic>M</italic> =
Co; Essehli <italic>et al.</italic> (2005) for <italic>M</italic> = Ni and Zn.</p><p>The crystal structure of the title compound can be described in terms of
centrosymmetric {Co(H<sub>2</sub>O)<sub>2</sub>[H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>]<sub>2</sub>}<sup>4-</sup> units (Fig. 1) that are
linked through K—O bonds and an intricate network of O—H···O hydrogen bonds
into a three-dimensional network (Fig. 2). The slightly distorted coordination
octahedron around Co<sup>2+</sup> is composed of four O atoms from two bidendate
[H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>]<sup>2-</sup> groups in equatorial positions and two O atoms from water
molecules in axial positions. The average Co—O bond length of 2.093 (8) Å is in the same range as 2.047 Å for the orthorhombic form
(Tahiri <italic>et al.</italic>, 2002). The dihydrogendiphosphate anion is bent
and
shows an almost eclipsed conformation, with an bridging angle P1—O1—P2 of
130.90 (19) °. P—O bond lengths and O—P—O angles values are of similar
values as in known dihydrogendiphosphates. The K<sup>+</sup> cation is coordinated by
six O atoms in form of a very distorted octahedron, with K—O distances
ranging
from 2.771 (4) to 2.979 (3) Å. Such values are likewise found in isotypic or
isoformular dihydrogendiphosphates.</p></sec><sec id="experimental"><title>Experimental </title><p>To prepare the present crystals we used the same procedure as described in
detail in (Tahiri <italic>et al.</italic>, 2002). Solutions of CoCl<sub>2</sub><sup>.</sup>4H<sub>2</sub>O
(10 ml,
10 mmol) and K<sub>4</sub>P<sub>2</sub>O<sub>7</sub> (10 ml, 20 mmol) were mixed in a beaker. The mixture
was stirred for six hours and then allowed to stand for two weeks at room
temperature. At the end of this period, large prismatic pink crystals have
deposited, which were filtered-off and washed with a water-ethanol solution
(20:80).</p></sec><sec id="refinement"><title>Refinement </title><p>All hydrogen atoms were found in difference Fourier maps and their coordinates
were refined independently. The isotropic atomic displacement parameters of
hydrogen atoms were treated with 1.2×<italic>U</italic><sub>eq</sub> of the respective
parent O atom.</p></sec><sec id="figures"><title>Figures</title><fig id="Fap1"><label>Fig. 1.</label><caption><p>: The main coordination polyhedra in the title compound, shown as an ellipsoid plot with anisotropic displacement parameters drawn at the 50% probability level. [Symmetry codes: (i) 1 - x, 1 - y, 1 - z; (ii) 1 - x, -y, 1 - z; (iii) x, y, 1 + z; (iv) 2 - x, -y, 1 - z].</p></caption><graphic xlink:href="e-67-00i37-fig1"></graphic></fig><fig id="Fap2"><label>Fig. 2.</label><caption><p>: Projection of the structure along the b-axis. H-bonds are displayed as dashed lines.</p></caption><graphic xlink:href="e-67-00i37-fig2"></graphic></fig></sec><sec id="tablewrapcrystaldatalong"><title>Crystal data</title><table-wrap position="anchor" id="d1e313"><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">K<sub>2</sub>Co(H<sub>2</sub>P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>·2H<sub>2</sub>O</td><td rowspan="1" colspan="1"><italic>Z</italic> = 1</td></tr><tr><td rowspan="1" colspan="1"><italic>M</italic><italic><sub>r</sub></italic> = 525.1</td><td rowspan="1" colspan="1"><italic>F</italic>(000) = 261</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> = 2.412 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 = 0.71069 Å</td></tr><tr><td rowspan="1" colspan="1"><italic>a</italic> = 6.8737 (14) Å</td><td rowspan="1" colspan="1">Cell parameters from 4546 reflections</td></tr><tr><td rowspan="1" colspan="1"><italic>b</italic> = 7.3565 (11) Å</td><td rowspan="1" colspan="1">θ = 3.1–26.6°</td></tr><tr><td rowspan="1" colspan="1"><italic>c</italic> = 7.6141 (14) Å</td><td rowspan="1" colspan="1">µ = 2.29 mm<sup>−</sup><sup>1</sup></td></tr><tr><td rowspan="1" colspan="1">α = 80.740 (14)°</td><td rowspan="1" colspan="1"><italic>T</italic> = 292 K</td></tr><tr><td rowspan="1" colspan="1">β = 72.397 (17)°</td><td rowspan="1" colspan="1">Prism, pink</td></tr><tr><td rowspan="1" colspan="1">γ = 83.484 (14)°</td><td rowspan="1" colspan="1">0.16 × 0.11 × 0.03 mm</td></tr><tr><td rowspan="1" colspan="1"><italic>V</italic> = 361.35 (12) 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="d1e457"><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">Oxford Diffraction Xcalibur diffractometer with a Sapphire 2 CCD detector</td><td rowspan="1" colspan="1">1489 independent reflections</td></tr><tr><td rowspan="1" colspan="1">Radiation source: Mo X-ray tube</td><td rowspan="1" colspan="1">1013 reflections with <italic>I</italic> > 3σ(<italic>I</italic>)</td></tr><tr><td rowspan="1" colspan="1">graphite</td><td rowspan="1" colspan="1"><italic>R</italic><sub>int</sub> = 0.054</td></tr><tr><td rowspan="1" colspan="1">Detector resolution: 8.3438 pixels mm<sup>-1</sup></td><td rowspan="1" colspan="1">θ<sub>max</sub> = 26.6°, θ<sub>min</sub> = 3.1°</td></tr><tr><td rowspan="1" colspan="1">Rotation method data acquisition using ω scans</td><td rowspan="1" colspan="1"><italic>h</italic> = −8→8</td></tr><tr><td rowspan="1" colspan="1">Absorption correction: analytical based on the crystal shape (<italic>CrysAlis RED</italic>; Oxford Diffraction, 2004)</td><td rowspan="1" colspan="1"><italic>k</italic> = −9→9</td></tr><tr><td rowspan="1" colspan="1"><italic>T</italic><sub>min</sub> = 0.648, <italic>T</italic><sub>max</sub> = 0.838</td><td rowspan="1" colspan="1"><italic>l</italic> = −9→9</td></tr><tr><td rowspan="1" colspan="1">4546 measured reflections</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="tablewraprefinementdatalong"><title>Refinement</title><table-wrap position="anchor" id="d1e578"><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">4 constraints</td></tr><tr><td rowspan="1" colspan="1"><italic>R</italic>[<italic>F</italic><sup>2</sup> > 2σ(<italic>F</italic><sup>2</sup>)] = 0.038</td><td rowspan="1" colspan="1">Only H-atom coordinates refined</td></tr><tr><td rowspan="1" colspan="1"><italic>wR</italic>(<italic>F</italic><sup>2</sup>) = 0.090</td><td rowspan="1" colspan="1">Weighting scheme based on measured s.u.'s <italic>w</italic> = 1/[σ<sup>2</sup>(<italic>I</italic>) + 0.0016<italic>I</italic><sup>2</sup>]</td></tr><tr><td rowspan="1" colspan="1"><italic>S</italic> = 1.17</td><td rowspan="1" colspan="1">(Δ/σ)<sub>max</sub> = 0.044</td></tr><tr><td rowspan="1" colspan="1">1489 reflections</td><td rowspan="1" colspan="1">Δρ<sub>max</sub> = 0.47 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">118 parameters</td><td rowspan="1" colspan="1">Δρ<sub>min</sub> = −0.45 e Å<sup>−</sup><sup>3</sup></td></tr><tr><td rowspan="1" colspan="1">0 restraints</td><td rowspan="1" colspan="1"></td></tr></table></table-wrap></sec><sec id="specialdetails"><title>Special details</title><table-wrap position="anchor" id="d1e701"><table rules="all" frame="box" style="table-layout:fixed"><tr><td rowspan="1" colspan="1">Refinement. The hydrogen atoms were localized from the difference Fourier map. Their
coordinates were refined independently. The isotropic temperature parameters
of hydrogen atoms were calculated as 1.2*<italic>U</italic><sub>eq</sub> of the parent atom.</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="d1e726"><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">K1</td><td rowspan="1" colspan="1">0.89288 (17)</td><td rowspan="1" colspan="1">0.26574 (14)</td><td rowspan="1" colspan="1">0.70307 (15)</td><td rowspan="1" colspan="1">0.0365 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">Co1</td><td rowspan="1" colspan="1">0.5</td><td rowspan="1" colspan="1">0.5</td><td rowspan="1" colspan="1">0.5</td><td rowspan="1" colspan="1">0.0172 (3)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.32488 (16)</td><td rowspan="1" colspan="1">0.27153 (14)</td><td rowspan="1" colspan="1">0.24623 (14)</td><td rowspan="1" colspan="1">0.0181 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.75153 (16)</td><td rowspan="1" colspan="1">0.18965 (14)</td><td rowspan="1" colspan="1">0.24070 (14)</td><td rowspan="1" colspan="1">0.0177 (4)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.5649 (4)</td><td rowspan="1" colspan="1">0.2309 (4)</td><td rowspan="1" colspan="1">0.1518 (4)</td><td rowspan="1" colspan="1">0.0242 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.2951 (4)</td><td rowspan="1" colspan="1">0.3930 (4)</td><td rowspan="1" colspan="1">0.3932 (4)</td><td rowspan="1" colspan="1">0.0213 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.2401 (4)</td><td rowspan="1" colspan="1">0.3486 (4)</td><td rowspan="1" colspan="1">0.0882 (4)</td><td rowspan="1" colspan="1">0.0241 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.2372 (5)</td><td rowspan="1" colspan="1">0.0812 (4)</td><td rowspan="1" colspan="1">0.3353 (4)</td><td rowspan="1" colspan="1">0.0263 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H1</td><td rowspan="1" colspan="1">0.252 (7)</td><td rowspan="1" colspan="1">0.045 (6)</td><td rowspan="1" colspan="1">0.437 (6)</td><td rowspan="1" colspan="1">0.0316*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.7435 (4)</td><td rowspan="1" colspan="1">0.3267 (4)</td><td rowspan="1" colspan="1">0.3681 (4)</td><td rowspan="1" colspan="1">0.0231 (10)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.9309 (4)</td><td rowspan="1" colspan="1">0.2143 (4)</td><td rowspan="1" colspan="1">0.0601 (4)</td><td rowspan="1" colspan="1">0.0258 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H2</td><td rowspan="1" colspan="1">1.011 (7)</td><td rowspan="1" colspan="1">0.252 (7)</td><td rowspan="1" colspan="1">0.083 (7)</td><td rowspan="1" colspan="1">0.0309*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.7467 (5)</td><td rowspan="1" colspan="1">−0.0072 (4)</td><td rowspan="1" colspan="1">0.3310 (4)</td><td rowspan="1" colspan="1">0.0283 (11)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.5496 (5)</td><td rowspan="1" colspan="1">0.7064 (4)</td><td rowspan="1" colspan="1">0.2702 (4)</td><td rowspan="1" colspan="1">0.0274 (12)</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H3</td><td rowspan="1" colspan="1">0.602 (8)</td><td rowspan="1" colspan="1">0.692 (7)</td><td rowspan="1" colspan="1">0.176 (7)</td><td rowspan="1" colspan="1">0.0329*</td><td rowspan="1" colspan="1"></td></tr><tr><td rowspan="1" colspan="1">H4</td><td rowspan="1" colspan="1">0.606 (7)</td><td rowspan="1" colspan="1">0.790 (7)</td><td rowspan="1" colspan="1">0.280 (7)</td><td rowspan="1" colspan="1">0.0329*</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="d1e957"><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">K1</td><td rowspan="1" colspan="1">0.0433 (6)</td><td rowspan="1" colspan="1">0.0353 (6)</td><td rowspan="1" colspan="1">0.0362 (6)</td><td rowspan="1" colspan="1">0.0096 (5)</td><td rowspan="1" colspan="1">−0.0215 (5)</td><td rowspan="1" colspan="1">−0.0093 (5)</td></tr><tr><td rowspan="1" colspan="1">Co1</td><td rowspan="1" colspan="1">0.0201 (4)</td><td rowspan="1" colspan="1">0.0177 (4)</td><td rowspan="1" colspan="1">0.0175 (4)</td><td rowspan="1" colspan="1">0.0005 (3)</td><td rowspan="1" colspan="1">−0.0093 (3)</td><td rowspan="1" colspan="1">−0.0069 (3)</td></tr><tr><td rowspan="1" colspan="1">P1</td><td rowspan="1" colspan="1">0.0183 (5)</td><td rowspan="1" colspan="1">0.0215 (6)</td><td rowspan="1" colspan="1">0.0184 (5)</td><td rowspan="1" colspan="1">−0.0008 (4)</td><td rowspan="1" colspan="1">−0.0095 (4)</td><td rowspan="1" colspan="1">−0.0062 (4)</td></tr><tr><td rowspan="1" colspan="1">P2</td><td rowspan="1" colspan="1">0.0193 (5)</td><td rowspan="1" colspan="1">0.0204 (6)</td><td rowspan="1" colspan="1">0.0166 (5)</td><td rowspan="1" colspan="1">0.0009 (4)</td><td rowspan="1" colspan="1">−0.0084 (4)</td><td rowspan="1" colspan="1">−0.0068 (4)</td></tr><tr><td rowspan="1" colspan="1">O1</td><td rowspan="1" colspan="1">0.0183 (15)</td><td rowspan="1" colspan="1">0.0363 (18)</td><td rowspan="1" colspan="1">0.0229 (15)</td><td rowspan="1" colspan="1">0.0048 (12)</td><td rowspan="1" colspan="1">−0.0110 (12)</td><td rowspan="1" colspan="1">−0.0128 (13)</td></tr><tr><td rowspan="1" colspan="1">O2</td><td rowspan="1" colspan="1">0.0212 (15)</td><td rowspan="1" colspan="1">0.0236 (15)</td><td rowspan="1" colspan="1">0.0238 (15)</td><td rowspan="1" colspan="1">−0.0009 (12)</td><td rowspan="1" colspan="1">−0.0095 (12)</td><td rowspan="1" colspan="1">−0.0110 (12)</td></tr><tr><td rowspan="1" colspan="1">O3</td><td rowspan="1" colspan="1">0.0222 (16)</td><td rowspan="1" colspan="1">0.0337 (17)</td><td rowspan="1" colspan="1">0.0198 (15)</td><td rowspan="1" colspan="1">−0.0011 (13)</td><td rowspan="1" colspan="1">−0.0130 (13)</td><td rowspan="1" colspan="1">−0.0008 (13)</td></tr><tr><td rowspan="1" colspan="1">O4</td><td rowspan="1" colspan="1">0.0359 (18)</td><td rowspan="1" colspan="1">0.0235 (16)</td><td rowspan="1" colspan="1">0.0238 (17)</td><td rowspan="1" colspan="1">−0.0081 (13)</td><td rowspan="1" colspan="1">−0.0143 (15)</td><td rowspan="1" colspan="1">−0.0005 (13)</td></tr><tr><td rowspan="1" colspan="1">O5</td><td rowspan="1" colspan="1">0.0225 (16)</td><td rowspan="1" colspan="1">0.0294 (16)</td><td rowspan="1" colspan="1">0.0225 (15)</td><td rowspan="1" colspan="1">0.0037 (13)</td><td rowspan="1" colspan="1">−0.0099 (13)</td><td rowspan="1" colspan="1">−0.0156 (13)</td></tr><tr><td rowspan="1" colspan="1">O6</td><td rowspan="1" colspan="1">0.0215 (17)</td><td rowspan="1" colspan="1">0.0403 (19)</td><td rowspan="1" colspan="1">0.0180 (15)</td><td rowspan="1" colspan="1">−0.0081 (14)</td><td rowspan="1" colspan="1">−0.0039 (13)</td><td rowspan="1" colspan="1">−0.0105 (14)</td></tr><tr><td rowspan="1" colspan="1">O7</td><td rowspan="1" colspan="1">0.0388 (18)</td><td rowspan="1" colspan="1">0.0224 (16)</td><td rowspan="1" colspan="1">0.0269 (17)</td><td rowspan="1" colspan="1">−0.0040 (14)</td><td rowspan="1" colspan="1">−0.0137 (14)</td><td rowspan="1" colspan="1">−0.0024 (13)</td></tr><tr><td rowspan="1" colspan="1">O8</td><td rowspan="1" colspan="1">0.039 (2)</td><td rowspan="1" colspan="1">0.0253 (18)</td><td rowspan="1" colspan="1">0.0188 (16)</td><td rowspan="1" colspan="1">−0.0079 (15)</td><td rowspan="1" colspan="1">−0.0065 (15)</td><td rowspan="1" colspan="1">−0.0063 (14)</td></tr></table></table-wrap></sec><sec id="tablewrapgeomlong"><title>Geometric parameters (Å, °)</title><table-wrap position="anchor" id="d1e1245"><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">K1—O2<sup>i</sup></td><td rowspan="1" colspan="1">2.785 (3)</td><td rowspan="1" colspan="1">Co1—O8<sup>i</sup></td><td rowspan="1" colspan="1">2.094 (3)</td></tr><tr><td rowspan="1" colspan="1">K1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">2.884 (3)</td><td rowspan="1" colspan="1">P1—O1</td><td rowspan="1" colspan="1">1.602 (3)</td></tr><tr><td rowspan="1" colspan="1">K1—O5</td><td rowspan="1" colspan="1">2.979 (3)</td><td rowspan="1" colspan="1">P1—O2</td><td rowspan="1" colspan="1">1.495 (3)</td></tr><tr><td rowspan="1" colspan="1">K1—O6<sup>iii</sup></td><td rowspan="1" colspan="1">2.771 (4)</td><td rowspan="1" colspan="1">P1—O3</td><td rowspan="1" colspan="1">1.496 (3)</td></tr><tr><td rowspan="1" colspan="1">K1—O7<sup>iv</sup></td><td rowspan="1" colspan="1">2.919 (3)</td><td rowspan="1" colspan="1">P1—O4</td><td rowspan="1" colspan="1">1.556 (3)</td></tr><tr><td rowspan="1" colspan="1">K1—O8<sup>i</sup></td><td rowspan="1" colspan="1">2.972 (4)</td><td rowspan="1" colspan="1">P2—O1</td><td rowspan="1" colspan="1">1.602 (3)</td></tr><tr><td rowspan="1" colspan="1">Co1—O2</td><td rowspan="1" colspan="1">2.101 (3)</td><td rowspan="1" colspan="1">P2—O5</td><td rowspan="1" colspan="1">1.493 (3)</td></tr><tr><td rowspan="1" colspan="1">Co1—O2<sup>i</sup></td><td rowspan="1" colspan="1">2.101 (3)</td><td rowspan="1" colspan="1">P2—O6</td><td rowspan="1" colspan="1">1.546 (3)</td></tr><tr><td rowspan="1" colspan="1">Co1—O5</td><td rowspan="1" colspan="1">2.085 (3)</td><td rowspan="1" colspan="1">P2—O7</td><td rowspan="1" colspan="1">1.499 (3)</td></tr><tr><td rowspan="1" colspan="1">Co1—O5<sup>i</sup></td><td rowspan="1" colspan="1">2.085 (3)</td><td rowspan="1" colspan="1">O4—H1</td><td rowspan="1" colspan="1">0.81 (5)</td></tr><tr><td rowspan="1" colspan="1">Co1—O8</td><td rowspan="1" colspan="1">2.094 (3)</td><td rowspan="1" colspan="1">O6—H2</td><td rowspan="1" colspan="1">0.72 (6)</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">O2<sup>i</sup>—K1—O4<sup>ii</sup></td><td rowspan="1" colspan="1">123.43 (10)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Co1—O5</td><td rowspan="1" colspan="1">180</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—K1—O5</td><td rowspan="1" colspan="1">60.33 (9)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Co1—O8</td><td rowspan="1" colspan="1">86.81 (11)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—K1—O6<sup>iii</sup></td><td rowspan="1" colspan="1">113.92 (10)</td><td rowspan="1" colspan="1">O5<sup>i</sup>—Co1—O8<sup>i</sup></td><td rowspan="1" colspan="1">93.19 (11)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—K1—O7<sup>iv</sup></td><td rowspan="1" colspan="1">151.28 (8)</td><td rowspan="1" colspan="1">O8<sup>i</sup>—Co1—O8</td><td rowspan="1" colspan="1">180</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—K1—O8<sup>i</sup></td><td rowspan="1" colspan="1">60.69 (9)</td><td rowspan="1" colspan="1">O1—P1—O2</td><td rowspan="1" colspan="1">109.27 (18)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>ii</sup>—K1—O5</td><td rowspan="1" colspan="1">72.55 (9)</td><td rowspan="1" colspan="1">O1—P1—O3</td><td rowspan="1" colspan="1">105.02 (15)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>ii</sup>—K1—O6<sup>iii</sup></td><td rowspan="1" colspan="1">104.16 (10)</td><td rowspan="1" colspan="1">O1—P1—O4</td><td rowspan="1" colspan="1">106.45 (15)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>ii</sup>—K1—O7<sup>iv</sup></td><td rowspan="1" colspan="1">74.58 (9)</td><td rowspan="1" colspan="1">O2—P1—O3</td><td rowspan="1" colspan="1">116.17 (17)</td></tr><tr><td rowspan="1" colspan="1">O4<sup>ii</sup>—K1—O8<sup>i</sup></td><td rowspan="1" colspan="1">68.68 (9)</td><td rowspan="1" colspan="1">O2—P1—O4</td><td rowspan="1" colspan="1">110.05 (16)</td></tr><tr><td rowspan="1" colspan="1">O5—K1—O6<sup>iii</sup></td><td rowspan="1" colspan="1">166.01 (9)</td><td rowspan="1" colspan="1">O3—P1—O4</td><td rowspan="1" colspan="1">109.36 (19)</td></tr><tr><td rowspan="1" colspan="1">O5—K1—O7<sup>iv</sup></td><td rowspan="1" colspan="1">113.42 (9)</td><td rowspan="1" colspan="1">O1—P2—O5</td><td rowspan="1" colspan="1">110.97 (16)</td></tr><tr><td rowspan="1" colspan="1">O5—K1—O8<sup>i</sup></td><td rowspan="1" colspan="1">57.71 (8)</td><td rowspan="1" colspan="1">O1—P2—O6</td><td rowspan="1" colspan="1">98.96 (17)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>iii</sup>—K1—O7<sup>iv</sup></td><td rowspan="1" colspan="1">77.87 (9)</td><td rowspan="1" colspan="1">O1—P2—O7</td><td rowspan="1" colspan="1">107.47 (18)</td></tr><tr><td rowspan="1" colspan="1">O6<sup>iii</sup>—K1—O8<sup>i</sup></td><td rowspan="1" colspan="1">108.32 (9)</td><td rowspan="1" colspan="1">O5—P2—O6</td><td rowspan="1" colspan="1">112.65 (18)</td></tr><tr><td rowspan="1" colspan="1">O7<sup>iv</sup>—K1—O8<sup>i</sup></td><td rowspan="1" colspan="1">143.17 (10)</td><td rowspan="1" colspan="1">O5—P2—O7</td><td rowspan="1" colspan="1">114.33 (17)</td></tr><tr><td rowspan="1" colspan="1">O2—Co1—O2<sup>i</sup></td><td rowspan="1" colspan="1">180</td><td rowspan="1" colspan="1">O6—P2—O7</td><td rowspan="1" colspan="1">111.27 (17)</td></tr><tr><td rowspan="1" colspan="1">O2—Co1—O5</td><td rowspan="1" colspan="1">92.27 (11)</td><td rowspan="1" colspan="1">P1—O1—P2</td><td rowspan="1" colspan="1">130.90 (19)</td></tr><tr><td rowspan="1" colspan="1">O2—Co1—O5<sup>i</sup></td><td rowspan="1" colspan="1">87.73 (11)</td><td rowspan="1" colspan="1">K1<sup>i</sup>—O2—Co1</td><td rowspan="1" colspan="1">95.37 (10)</td></tr><tr><td rowspan="1" colspan="1">O2—Co1—O8</td><td rowspan="1" colspan="1">87.94 (13)</td><td rowspan="1" colspan="1">K1<sup>i</sup>—O2—P1</td><td rowspan="1" colspan="1">110.42 (15)</td></tr><tr><td rowspan="1" colspan="1">O2—Co1—O8<sup>i</sup></td><td rowspan="1" colspan="1">92.06 (13)</td><td rowspan="1" colspan="1">Co1—O2—P1</td><td rowspan="1" colspan="1">132.80 (16)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—Co1—O2</td><td rowspan="1" colspan="1">180</td><td rowspan="1" colspan="1">K1<sup>ii</sup>—O4—P1</td><td rowspan="1" colspan="1">150.05 (19)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—Co1—O5</td><td rowspan="1" colspan="1">87.73 (11)</td><td rowspan="1" colspan="1">P1—O4—H1</td><td rowspan="1" colspan="1">114 (4)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—Co1—O5<sup>i</sup></td><td rowspan="1" colspan="1">92.27 (11)</td><td rowspan="1" colspan="1">K1—O5—Co1</td><td rowspan="1" colspan="1">90.21 (10)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—Co1—O8</td><td rowspan="1" colspan="1">92.06 (13)</td><td rowspan="1" colspan="1">K1—O5—P2</td><td rowspan="1" colspan="1">127.17 (15)</td></tr><tr><td rowspan="1" colspan="1">O2<sup>i</sup>—Co1—O8<sup>i</sup></td><td rowspan="1" colspan="1">87.94 (13)</td><td rowspan="1" colspan="1">Co1—O5—P2</td><td rowspan="1" colspan="1">130.12 (19)</td></tr><tr><td rowspan="1" colspan="1">O5—Co1—O5<sup>i</sup></td><td rowspan="1" colspan="1">180</td><td rowspan="1" colspan="1">K1<sup>v</sup>—O6—P2</td><td rowspan="1" colspan="1">125.12 (18)</td></tr><tr><td rowspan="1" colspan="1">O5—Co1—O8</td><td rowspan="1" colspan="1">93.19 (11)</td><td rowspan="1" colspan="1">P2—O6—H2</td><td rowspan="1" colspan="1">107 (4)</td></tr><tr><td rowspan="1" colspan="1">O5—Co1—O8<sup>i</sup></td><td rowspan="1" colspan="1">86.81 (11)</td><td rowspan="1" colspan="1">H3—O8—H4</td><td rowspan="1" colspan="1">101 (5)</td></tr></table></table-wrap><p>Symmetry codes: (i) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>+1; (ii) −<italic>x</italic>+1, −<italic>y</italic>, −<italic>z</italic>+1; (iii) <italic>x</italic>, <italic>y</italic>, <italic>z</italic>+1; (iv) −<italic>x</italic>+2, −<italic>y</italic>, −<italic>z</italic>+1; (v) <italic>x</italic>, <italic>y</italic>, <italic>z</italic>−1.</p></sec><sec id="tablewraphbondslong"><title>Hydrogen-bond geometry (Å, °)</title><table-wrap position="anchor" id="d1e1804"><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">O4—H1···O7<sup>ii</sup></td><td rowspan="1" colspan="1">0.81 (5)</td><td rowspan="1" colspan="1">1.75 (5)</td><td rowspan="1" colspan="1">2.545 (5)</td><td rowspan="1" colspan="1">169 (5)</td></tr><tr><td rowspan="1" colspan="1">O6—H2···O3<sup>vi</sup></td><td rowspan="1" colspan="1">0.72 (6)</td><td rowspan="1" colspan="1">1.82 (6)</td><td rowspan="1" colspan="1">2.522 (5)</td><td rowspan="1" colspan="1">168 (5)</td></tr><tr><td rowspan="1" colspan="1">O8—H3···O3<sup>vii</sup></td><td rowspan="1" colspan="1">0.71 (5)</td><td rowspan="1" colspan="1">2.03 (5)</td><td rowspan="1" colspan="1">2.745 (4)</td><td rowspan="1" colspan="1">178 (6)</td></tr><tr><td rowspan="1" colspan="1">O8—H4···O7<sup>viii</sup></td><td rowspan="1" colspan="1">0.79 (5)</td><td rowspan="1" colspan="1">2.01 (6)</td><td rowspan="1" colspan="1">2.798 (5)</td><td rowspan="1" colspan="1">175 (5)</td></tr></table></table-wrap><p>Symmetry codes: (ii) −<italic>x</italic>+1, −<italic>y</italic>, −<italic>z</italic>+1; (vi) <italic>x</italic>+1, <italic>y</italic>, <italic>z</italic>; (vii) −<italic>x</italic>+1, −<italic>y</italic>+1, −<italic>z</italic>; (viii) <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">Brandenburg, K. (1999). <italic>DIAMOND</italic> Crystal Impact GbR, Bonn, Germany.</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">Essehli, R., El Bali, B., Alaoui Tahiri, A., Lachkar, M., Manoun, B., Dušek, M. & Fejfarova, K. (2005). <italic>Acta Cryst.</italic> C<bold>61</bold>, i120–i124.</mixed-citation></ref><ref id="bb4"><mixed-citation publication-type="other">Oxford Diffraction (2004). <italic>CrysAlis CCD</italic> and <italic>CrysAlis RED</italic> Oxford Diffraction Ltd, Abingdon, England.</mixed-citation></ref><ref id="bb5"><mixed-citation publication-type="other">Petříček, V., Dušek, M. & Palatinus, L. (2006). <italic>JANA2006</italic> Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic.</mixed-citation></ref><ref id="bb6"><mixed-citation publication-type="other">Tahiri, A. A., Messouri, I., Lachkar, M., Zavalij, P. Y., Glaum, R., El Bali, B. & Rachid, O. (2004). <italic>Acta Cryst.</italic> E<bold>60</bold>, i3–i5.</mixed-citation></ref><ref id="bb7"><mixed-citation publication-type="other">Tahiri, A. A., Ouarsal, R., Lachkar, M., El Bali, B. & Bolte, M. (2002). <italic>Acta Cryst.</italic> E<bold>58</bold>, i91–i92.</mixed-citation></ref><ref id="bb8"><mixed-citation publication-type="other">Tahiri, A. A., Ouarsal, R., Lachkar, M., Zavalij, P. Y. & El Bali, B. (2003). <italic>Acta Cryst.</italic> E<bold>59</bold>, i50–i52.</mixed-citation></ref></ref-list></back><floats-group><table-wrap-group id="table1" position="float"><label>Table 1</label><caption><title>Selected geometric parameters (Å, °)</title></caption><table-wrap id="d32e613" position="float"><table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">K1—O2<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.785 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">K1—O4<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.884 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">K1—O5</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.979 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">K1—O6<sup>iii</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.771 (4)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">K1—O7<sup>iv</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.919 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">K1—O8<sup>i</sup></td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.972 (4)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—O2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.101 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—O5</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.085 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">Co1—O8</td><td style="" rowspan="1" colspan="1" align="char" valign="top">2.094 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P1—O1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.602 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P1—O2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.495 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P1—O3</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.496 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P1—O4</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.556 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P2—O1</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.602 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P2—O5</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.493 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P2—O6</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.546 (3)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P2—O7</td><td style="" rowspan="1" colspan="1" align="char" valign="top">1.499 (3)</td></tr></tbody></table></table-wrap><table-wrap id="d32e712" position="float"><table frame="hsides" rules="groups"><tbody valign="top"><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">P1—O1—P2</td><td style="" rowspan="1" colspan="1" align="char" valign="top">130.90 (19)</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (i) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi2.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (ii) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iii) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi4.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (iv) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi5.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>.</p></table-wrap-foot></table-wrap></table-wrap-group><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">O4—H1⋯O7<sup>ii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.81 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.75 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.545 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">169 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O6—H2⋯O3<sup>v</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.72 (6)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">1.82 (6)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.522 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">168 (5)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H3⋯O3<sup>vi</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.71 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.03 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.745 (4)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">178 (6)</td></tr><tr><td style="" rowspan="1" colspan="1" align="left" valign="top">O8—H4⋯O7<sup>vii</sup></td><td style="" rowspan="1" colspan="1" align="left" valign="top">0.79 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.01 (6)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">2.798 (5)</td><td style="" rowspan="1" colspan="1" align="left" valign="top">175 (5)</td></tr></tbody></table><table-wrap-foot><p>Symmetry codes: (ii) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi3.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (v) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi7.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (vi) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi8.jpg" mimetype="image" mime-subtype="gif"></inline-graphic></inline-formula>; (vii) <inline-formula><inline-graphic xlink:href="e-67-00i37-efi9.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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