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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3588738 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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