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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...

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Detalles Bibliográficos
Autores principales: Zhang, Bi-Song, Lin, Jian-Li, Jin, Xiu-Fang, Huang, Rong, Luo, Ling-Ling
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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