Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]

Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]

The polymeric title compound, {[Ba2(C9H4N2O4)2(H2O)]·4.5H2O}n, adopts a layer structure parallel to (001) in which adjacent BaII atoms are connected by two benzimidazole-5,6-dicarboxylate dianions, one functioning in a μ4-bridging mode and the other in a μ5-bri...

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Main Authors: Heng-Qiang Zhang, Xiu-Jun Zheng, Chun-Xiang Zhao, Seik Weng Ng
Format: Article
Language:English
Published: International Union of Crystallography 2011-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681101590X
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spelling doaj-decea5b678ff4c2fb552c0b301c32d6f2020-11-25T02:24:30ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-06-01676m671m67210.1107/S160053681101590XPoly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]Heng-Qiang ZhangXiu-Jun ZhengChun-Xiang ZhaoSeik Weng NgThe polymeric title compound, {[Ba2(C9H4N2O4)2(H2O)]·4.5H2O}n, adopts a layer structure parallel to (001) in which adjacent BaII atoms are connected by two benzimidazole-5,6-dicarboxylate dianions, one functioning in a μ4-bridging mode and the other in a μ5-bridging mode. The Ba atom having water in its coordination environment as well as the Ba atom without water exist in a nine-coordinate polyhedron of O atoms; the geometry is difficult to derive. Lattice water molecules occupy the space between layers and interact with the layers through O—H...O, O—H...N and N—H...O hydrogen bonds. ne of the five lattice water molecules is equally disordered around an inversion centre and shows half-occupancy.http://scripts.iucr.org/cgi-bin/paper?S160053681101590X
collection DOAJ
language English
format Article
sources DOAJ
author Heng-Qiang Zhang
Xiu-Jun Zheng
Chun-Xiang Zhao
Seik Weng Ng
spellingShingle Heng-Qiang Zhang
Xiu-Jun Zheng
Chun-Xiang Zhao
Seik Weng Ng
Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
Acta Crystallographica Section E
author_facet Heng-Qiang Zhang
Xiu-Jun Zheng
Chun-Xiang Zhao
Seik Weng Ng
author_sort Heng-Qiang Zhang
title Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
title_short Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
title_full Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
title_fullStr Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
title_full_unstemmed Poly[[aqua(μ5-1H-benzimidazole-5,6-dicarboxylato)(μ4-1H-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
title_sort poly[[aqua(μ5-1h-benzimidazole-5,6-dicarboxylato)(μ4-1h-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-06-01
description The polymeric title compound, {[Ba2(C9H4N2O4)2(H2O)]·4.5H2O}n, adopts a layer structure parallel to (001) in which adjacent BaII atoms are connected by two benzimidazole-5,6-dicarboxylate dianions, one functioning in a μ4-bridging mode and the other in a μ5-bridging mode. The Ba atom having water in its coordination environment as well as the Ba atom without water exist in a nine-coordinate polyhedron of O atoms; the geometry is difficult to derive. Lattice water molecules occupy the space between layers and interact with the layers through O—H...O, O—H...N and N—H...O hydrogen bonds. ne of the five lattice water molecules is equally disordered around an inversion centre and shows half-occupancy.
url http://scripts.iucr.org/cgi-bin/paper?S160053681101590X
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AT xiujunzheng polyaquaamp95651hbenzimidazole56dicarboxylatoamp95641hbenzimidazole56dicarboxylatodibarium45hydrate
AT chunxiangzhao polyaquaamp95651hbenzimidazole56dicarboxylatoamp95641hbenzimidazole56dicarboxylatodibarium45hydrate
AT seikwengng polyaquaamp95651hbenzimidazole56dicarboxylatoamp95641hbenzimidazole56dicarboxylatodibarium45hydrate
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