Research Article: Poly[[aqua­tris­(μ-benzene-1,4-dicarboxyl­ato)tricobalt(II)] methanol monosolvate monohydrate]

Date Published: July 01, 2011

Publisher: International Union of Crystallography

Author(s): Hu Zhou, Chao-Xia Chu, Yi-Zhi Li.


The asymmetric unit of the title compound, {[Co3(C8H4O4)3(H2O)]·CH3OH·H2O}n, consists of four crystallographically independent Co cations, four benzene-1,4-dicarboxyl­ate (bdc) anions, two water and one methanol solvent mol­ecule. Two of the Co cations and two of the bdc anions are located on centres of inversion, whereas all other atoms are located in general positions. In the crystal, two Co atoms are only fourfold coordinated by three O atoms from three bdc ligands and by one O atom from one coordinated water mol­ecule, while a third Co atom is coordinated by four O atoms from four bdc ligands within a strongly distorted tetra­hedral geometry. The other two Co cations are octa­hedrally coordinated by six O atoms from six bdc anions. The Co cations are linked by the bdc anions into a three-dimensional framework. From this arrangement, cavities are formed in which additional methanol and water mol­ecules are embedded.

Partial Text

For related structures, see: Rosi et al. (2005 ▶); Devic et al. (2005 ▶); Humphrey et al. (2007 ▶); Luo et al. (2007 ▶, 2008 ▶). For general background to benzene-1,4-dicarb­oxy­lic acid (H2bdc), see: Férey et al. (2005 ▶); Rosi et al. (2003 ▶). For background to metal-organic frameworks (MOFs), see: Long & Yaghi (2009 ▶).




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