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catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3) O:O,O′;1:1′′κ(3) O,O′:O] 2,2′-bipyridine hemisolvate]
In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluorobenzoate ligands and two water molecules, resulting in a distorted CaO(8) square-antiprismatic coordination environment. The 2-fluorobenzoate ligand br...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254322/ https://www.ncbi.nlm.nih.gov/pubmed/22259354 http://dx.doi.org/10.1107/S1600536811053311 |
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author | Zhang, Bi-Song Lin, Jian-Li Jin, Xiu-Fang Huang, Rong Luo, Ling-Ling |
author_facet | Zhang, Bi-Song Lin, Jian-Li Jin, Xiu-Fang Huang, Rong Luo, Ling-Ling |
author_sort | Zhang, Bi-Song |
collection | PubMed |
description | In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluorobenzoate ligands and two water molecules, resulting in a distorted CaO(8) square-antiprismatic coordination environment. The 2-fluorobenzoate ligand bridges two symmetry-related Ca(II) atoms, giving rise to a chain structure extending along [100]. The distances between the Ca atom and its two symmetry-related counterparts are 4.054 (2) and 4.106 (2) Å. The polymeric chains are connected by classical O—H⋯N hydrogen bonds into a layer structure parallel to (010). The layers are connected by non-classical C—H⋯F hydrogen bonds into a three-dimensional supramolecular structure. O—H⋯O and C—H⋯O interactions also occur. The uncoordinated 2,2′-bipyridine molecule is located on a centre of symmetry at the mid-point of the bond between the two heterocycles. One of the two benzene rings is disordered over two sites with occupancy factors of 0.60 and 0.40. |
format | Online Article Text |
id | pubmed-3254322 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32543222012-01-18 catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3) O:O,O′;1:1′′κ(3) O,O′:O] 2,2′-bipyridine hemisolvate] Zhang, Bi-Song Lin, Jian-Li Jin, Xiu-Fang Huang, Rong Luo, Ling-Ling Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, {[Ca(C(7)H(4)FO(2))(2)(H(2)O)(2)]·0.5C(10)H(8)N(2)}(n), the Ca(II) atom is coordinated by eigth O atoms from four 2-fluorobenzoate ligands and two water molecules, resulting in a distorted CaO(8) square-antiprismatic coordination environment. The 2-fluorobenzoate ligand bridges two symmetry-related Ca(II) atoms, giving rise to a chain structure extending along [100]. The distances between the Ca atom and its two symmetry-related counterparts are 4.054 (2) and 4.106 (2) Å. The polymeric chains are connected by classical O—H⋯N hydrogen bonds into a layer structure parallel to (010). The layers are connected by non-classical C—H⋯F hydrogen bonds into a three-dimensional supramolecular structure. O—H⋯O and C—H⋯O interactions also occur. The uncoordinated 2,2′-bipyridine molecule is located on a centre of symmetry at the mid-point of the bond between the two heterocycles. One of the two benzene rings is disordered over two sites with occupancy factors of 0.60 and 0.40. International Union of Crystallography 2011-12-17 /pmc/articles/PMC3254322/ /pubmed/22259354 http://dx.doi.org/10.1107/S1600536811053311 Text en © Zhang et al. 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 Zhang, Bi-Song Lin, Jian-Li Jin, Xiu-Fang Huang, Rong Luo, Ling-Ling catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3) O:O,O′;1:1′′κ(3) O,O′:O] 2,2′-bipyridine hemisolvate] |
title |
catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3)
O:O,O′;1:1′′κ(3)
O,O′:O] 2,2′-bipyridine hemisolvate] |
title_full |
catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3)
O:O,O′;1:1′′κ(3)
O,O′:O] 2,2′-bipyridine hemisolvate] |
title_fullStr |
catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3)
O:O,O′;1:1′′κ(3)
O,O′:O] 2,2′-bipyridine hemisolvate] |
title_full_unstemmed |
catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3)
O:O,O′;1:1′′κ(3)
O,O′:O] 2,2′-bipyridine hemisolvate] |
title_short |
catena-Poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3)
O:O,O′;1:1′′κ(3)
O,O′:O] 2,2′-bipyridine hemisolvate] |
title_sort | catena-poly[[(diaquacalcium)-bis(μ-2-fluorobenzoato)-1′:1κ(3)
o:o,o′;1:1′′κ(3)
o,o′:o] 2,2′-bipyridine hemisolvate] |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3254322/ https://www.ncbi.nlm.nih.gov/pubmed/22259354 http://dx.doi.org/10.1107/S1600536811053311 |
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