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Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]

The polymeric structure of the title compound, {[Ca(2)(C(6)H(2)N(2)O(4))(2)(H(2)O)(6)]·2H(2)O}(n), is built up of mol­ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, formi...

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Autores principales: Starosta, Wojciech, Leciejewicz, Janusz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588738/
https://www.ncbi.nlm.nih.gov/pubmed/23468703
http://dx.doi.org/10.1107/S160053681204617X
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author Starosta, Wojciech
Leciejewicz, Janusz
author_facet Starosta, Wojciech
Leciejewicz, Janusz
author_sort Starosta, Wojciech
collection PubMed
description The polymeric structure of the title compound, {[Ca(2)(C(6)H(2)N(2)O(4))(2)(H(2)O)(6)]·2H(2)O}(n), is built up of mol­ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked mol­ecular layer parallel to (101). The Ca(II) ion is coordinated by two bidentate ligands, one monodentate ligand and three water mol­ecules in the form of a distorted polyhedron with a coordination number of eight. Solvate water mol­ecules located between adjacent layers participate as donors and acceptors in a system of hydrogen bonds in which coordinating water mol­ecules also act as donors and non-coordinating carboxyl­ate O atoms act as acceptors.
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spelling pubmed-35887382013-03-06 Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate] Starosta, Wojciech Leciejewicz, Janusz Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The polymeric structure of the title compound, {[Ca(2)(C(6)H(2)N(2)O(4))(2)(H(2)O)(6)]·2H(2)O}(n), is built up of mol­ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked mol­ecular layer parallel to (101). The Ca(II) ion is coordinated by two bidentate ligands, one monodentate ligand and three water mol­ecules in the form of a distorted polyhedron with a coordination number of eight. Solvate water mol­ecules located between adjacent layers participate as donors and acceptors in a system of hydrogen bonds in which coordinating water mol­ecules also act as donors and non-coordinating carboxyl­ate O atoms act as acceptors. International Union of Crystallography 2012-11-14 /pmc/articles/PMC3588738/ /pubmed/23468703 http://dx.doi.org/10.1107/S160053681204617X Text en © Starosta and Leciejewicz 2012 http://creativecommons.org/licenses/by/2.0/uk/ 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.
spellingShingle Metal-Organic Papers
Starosta, Wojciech
Leciejewicz, Janusz
Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]
title Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]
title_full Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]
title_fullStr Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]
title_full_unstemmed Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]
title_short Poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]
title_sort poly[[hexa­aqua­bis­(μ(3)-pyrimidine-4,6-dicarboxyl­ato)dicalcium] dihydrate]
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588738/
https://www.ncbi.nlm.nih.gov/pubmed/23468703
http://dx.doi.org/10.1107/S160053681204617X
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