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

TitleCatena-poly[[diaquacalcium]bis-[μ-2-(1,3-dioxoisoindolin-2-yl)acetato] -κ 3 O,O′:O;κ 3O:O,O′]
Authors
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
Citation
Acta Crystallographica Section E: Structure Reports Online, 2011, v. 67 n. 8, p. m1102-m1103 How to Cite?
Abstract
In 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.
Persistent Identifierhttp://hdl.handle.net/10722/159327
ISSN
2013 SCImago Journal Rankings: 0.227
PubMed Central ID
ISI Accession Number ID
References

 

Author Affiliations
  1. The University of Hong Kong
  2. Allama Iqbal Open University
DC FieldValueLanguage
dc.contributor.authorBhatti, MHen_HK
dc.contributor.authorYunus, Uen_HK
dc.contributor.authorSaeed, Sen_HK
dc.contributor.authorShah, SRen_HK
dc.contributor.authorWong, WTen_HK
dc.date.accessioned2012-08-16T05:48:41Z-
dc.date.available2012-08-16T05:48:41Z-
dc.date.issued2011en_HK
dc.identifier.citationActa Crystallographica Section E: Structure Reports Online, 2011, v. 67 n. 8, p. m1102-m1103en_HK
dc.identifier.issn1600-5368en_HK
dc.identifier.urihttp://hdl.handle.net/10722/159327-
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.en_HK
dc.languageengen_US
dc.publisherInternational Union of Crystallography. The Journal's web site is located at http://journals.iucr.org/e/journalhomepage.htmlen_HK
dc.relation.ispartofActa Crystallographica Section E: Structure Reports Onlineen_HK
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 = 14.6en_HK
dc.subjectdisorder in main residueen_HK
dc.subjectmean σ(CC) = 0.003 Åen_HK
dc.subjectR factor = 0.036en_HK
dc.subjectsingle-crystal X-ray studyen_HK
dc.subjectT = 296 Ken_HK
dc.subjectwR factor = 0.102en_HK
dc.titleCatena-poly[[diaquacalcium]bis-[μ-2-(1,3-dioxoisoindolin-2-yl)acetato] -κ 3 O,O′:O;κ 3O:O,O′]en_HK
dc.typeArticleen_HK
dc.identifier.emailWong, WT: wtwong@hku.hken_HK
dc.identifier.authorityWong, WT=rp00811en_HK
dc.description.naturepublished_or_final_version-
dc.identifier.doi10.1107/S1600536811027851en_HK
dc.identifier.pmid22090875-
dc.identifier.pmcidPMC3212173-
dc.identifier.scopuseid_2-s2.0-80051533183en_HK
dc.identifier.hkuros203948en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-80051533183&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume67en_HK
dc.identifier.issue8en_HK
dc.identifier.spagem1102en_HK
dc.identifier.epagem1103en_HK
dc.identifier.isiWOS:000294613900069-
dc.publisher.placeUnited Statesen_HK
dc.identifier.scopusauthoridBhatti, MH=7103035366en_HK
dc.identifier.scopusauthoridYunus, U=20736136900en_HK
dc.identifier.scopusauthoridSaeed, S=24462120400en_HK
dc.identifier.scopusauthoridShah, SR=46461846800en_HK
dc.identifier.scopusauthoridWong, WT=7403973084en_HK
dc.identifier.citeulike9569790-

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