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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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Detalles Bibliográficos
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
Descripción
Sumario: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).