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Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure

The title compound, [Ba(C(12)H(6)O(4))(H(2)O)(2)](n), is represented by a layer-like structure built of BaO(8) polyhedra. The asymmetric unit contains a Ba(2+) ion, half a coordinating water mol­ecule and half a μ(4)-bridging naphthalene-1,8-dicarboxyl­ate (1,8-nap) ligand, the whole structure being...

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Autores principales: Zhao, Dan, Li, Fei Fei, Liang, Peng, Ren, Jun-Ran, Qiu, Shen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629495/
https://www.ncbi.nlm.nih.gov/pubmed/23634013
http://dx.doi.org/10.1107/S1600536813006259
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author Zhao, Dan
Li, Fei Fei
Liang, Peng
Ren, Jun-Ran
Qiu, Shen
author_facet Zhao, Dan
Li, Fei Fei
Liang, Peng
Ren, Jun-Ran
Qiu, Shen
author_sort Zhao, Dan
collection PubMed
description The title compound, [Ba(C(12)H(6)O(4))(H(2)O)(2)](n), is represented by a layer-like structure built of BaO(8) polyhedra. The asymmetric unit contains a Ba(2+) ion, half a coordinating water mol­ecule and half a μ(4)-bridging naphthalene-1,8-dicarboxyl­ate (1,8-nap) ligand, the whole structure being generated by twofold rotational symmetry. The carboxyl­ate groups of the 1,8-nap ligands act as bridges linking four Ba(2+) ions, while each Ba(2+) ion is eight-coordinated by O atoms from four 1,8-nap ligands and two coordinating water mol­ecules. In the crystal, there are O—H⋯O hydrogen bonds involving the water mol­ecules and carboxyl­ate O atoms in the BaO(8) polyhedra. Each BaO(8) polyhedron is connected via corner-sharing water O atoms or edge-sharing ligand O atoms, forming a sheet parallel to the bc plane. These sheets stack along the a-axis direction and are connected via van der Waals forces only. The naphthalene groups protrude above and below the layers of the BaO(8) polyhedra and there are voids of ca 208 Å(3) bounded by these groups. No residual electron density was found in this region. The crystal studied was twinned by pseudo-merohedry, with a refined twin component ratio of 0.5261 (1):0.4739 (1).
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spelling pubmed-36294952013-04-30 Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure Zhao, Dan Li, Fei Fei Liang, Peng Ren, Jun-Ran Qiu, Shen Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Ba(C(12)H(6)O(4))(H(2)O)(2)](n), is represented by a layer-like structure built of BaO(8) polyhedra. The asymmetric unit contains a Ba(2+) ion, half a coordinating water mol­ecule and half a μ(4)-bridging naphthalene-1,8-dicarboxyl­ate (1,8-nap) ligand, the whole structure being generated by twofold rotational symmetry. The carboxyl­ate groups of the 1,8-nap ligands act as bridges linking four Ba(2+) ions, while each Ba(2+) ion is eight-coordinated by O atoms from four 1,8-nap ligands and two coordinating water mol­ecules. In the crystal, there are O—H⋯O hydrogen bonds involving the water mol­ecules and carboxyl­ate O atoms in the BaO(8) polyhedra. Each BaO(8) polyhedron is connected via corner-sharing water O atoms or edge-sharing ligand O atoms, forming a sheet parallel to the bc plane. These sheets stack along the a-axis direction and are connected via van der Waals forces only. The naphthalene groups protrude above and below the layers of the BaO(8) polyhedra and there are voids of ca 208 Å(3) bounded by these groups. No residual electron density was found in this region. The crystal studied was twinned by pseudo-merohedry, with a refined twin component ratio of 0.5261 (1):0.4739 (1). International Union of Crystallography 2013-03-16 /pmc/articles/PMC3629495/ /pubmed/23634013 http://dx.doi.org/10.1107/S1600536813006259 Text en © Zhao et al. 2013 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
Zhao, Dan
Li, Fei Fei
Liang, Peng
Ren, Jun-Ran
Qiu, Shen
Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure
title Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure
title_full Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure
title_fullStr Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure
title_full_unstemmed Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure
title_short Poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure
title_sort poly[μ-aqua-aqua-μ(4)-naphthalene-1,8-dicarboxyl­ato-barium]: a layer structure
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629495/
https://www.ncbi.nlm.nih.gov/pubmed/23634013
http://dx.doi.org/10.1107/S1600536813006259
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