Article: Catena-poly[[diaquacalcium]bis-[μ-2-(1,3-dioxoisoindolin-2-yl)acetato] -κ 3 O,O′:O;κ 3O:O,O′]

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TitleCatena-poly[[diaquacalcium]bis-[μ-2-(1,3-dioxoisoindolin-2-yl)acetato] -κ 3 O,O′:O;κ 3O:O,O′]
AuthorsBhatti, MH2
Yunus, U2
Saeed, S2
Shah, SR2
Wong, WT1
Keywordsdata-to-parameter ratio = 14.6
disorder in main residue
mean σ(CC) = 0.003 Å
R factor = 0.036
single-crystal X-ray study
T = 296 K
wR factor = 0.102
Issue Date2011
PublisherInternational Union of Crystallography. The Journal's web site is located at http://journals.iucr.org/e/journalhomepage.html
CitationActa Crystallographica Section E: Structure Reports Online, 2011, v. 67 n. 8, p. m1102-m1103 [How to Cite?]
DOI: http://dx.doi.org/10.1107/S1600536811027851
AbstractIn the title complex, [Ca(C 10H 6NO 4) 2(H 2O) 2] n , the Ca II atom lies on a twofold rotation axis and adopts a dodeca-hedral geometry. The Ca II atom is octa-coordinated by two O atoms from two water molecules and six O atoms from four acetate ligands. Each acetate acts as a tridentate ligand bridging two Ca II atoms, resulting in a chain running along the c axis. O - H⋯O and C - H⋯O hydrogen bonds connect the chains into a two-dimensional network parallel to [011]. π-π interactions between adjacent isoindoline-1,3-dione rings [centroid-centroid distance = 3.4096 (11) Å] further consolidate the structure. One of the carboxylate O atoms is disordered over two sites in a 0.879 (12):0.121 (12) ratio.
ISSN1600-5368
2011 Impact Factor: 0.347
2011 SCImago Journal Rankings: 0.041
DOIhttp://dx.doi.org/10.1107/S1600536811027851
PubMed Central IDPMC3212173
ReferencesReferences in Scopus
DC Field
Value
dc.contributor.authorBhatti, MH
dc.contributor.authorYunus, U
dc.contributor.authorSaeed, S
dc.contributor.authorShah, SR
dc.contributor.authorWong, WT
dc.date.accessioned2012-08-16T05:48:41Z
dc.date.available2012-08-16T05:48:41Z
dc.date.issued2011
dc.description.abstractIn the title complex, [Ca(C 10H 6NO 4) 2(H 2O) 2] n , the Ca II atom lies on a twofold rotation axis and adopts a dodeca-hedral geometry. The Ca II atom is octa-coordinated by two O atoms from two water molecules and six O atoms from four acetate ligands. Each acetate acts as a tridentate ligand bridging two Ca II atoms, resulting in a chain running along the c axis. O - H⋯O and C - H⋯O hydrogen bonds connect the chains into a two-dimensional network parallel to [011]. π-π interactions between adjacent isoindoline-1,3-dione rings [centroid-centroid distance = 3.4096 (11) Å] further consolidate the structure. One of the carboxylate O atoms is disordered over two sites in a 0.879 (12):0.121 (12) ratio.
dc.description.naturepublished_or_final_version
dc.identifier.citationActa Crystallographica Section E: Structure Reports Online, 2011, v. 67 n. 8, p. m1102-m1103 [How to Cite?]
DOI: http://dx.doi.org/10.1107/S1600536811027851
dc.identifier.citeulike9569790
dc.identifier.doihttp://dx.doi.org/10.1107/S1600536811027851
dc.identifier.epagem1103
dc.identifier.hkuros203948
dc.identifier.issn1600-5368
2011 Impact Factor: 0.347
2011 SCImago Journal Rankings: 0.041
dc.identifier.issue8
dc.identifier.pmcidPMC3212173
dc.identifier.pmid22090875
dc.identifier.scopuseid_2-s2.0-80051533183
dc.identifier.spagem1102
dc.identifier.urihttp://hdl.handle.net/10722/159327
dc.identifier.volume67
dc.languageeng
dc.publisherInternational Union of Crystallography. The Journal's web site is located at http://journals.iucr.org/e/journalhomepage.html
dc.publisher.placeUnited States
dc.relation.ispartofActa Crystallographica Section E: Structure Reports Online
dc.relation.referencesReferences in Scopus
dc.rightsThe definitive version is available at www.blackwell-synergy.com
dc.rightsCreative Commons: Attribution 3.0 Hong Kong License
dc.subjectdata-to-parameter ratio = 14.6
dc.subjectdisorder in main residue
dc.subjectmean σ(CC) = 0.003 Å
dc.subjectR factor = 0.036
dc.subjectsingle-crystal X-ray study
dc.subjectT = 296 K
dc.subjectwR factor = 0.102
dc.titleCatena-poly[[diaquacalcium]bis-[μ-2-(1,3-dioxoisoindolin-2-yl)acetato] -κ 3 O,O′:O;κ 3O:O,O′]
dc.typeArticle
Author Affiliations
  1. The University of Hong Kong
  2. Allama Iqbal Open University