A novel three-dimensional CdII coordination polymer: poly[[aquabis(2,2′-bipyridine)(μ5-pyrazol-1-ide-3,5-dicarboxylato)(μ4-pyrazol-1-ide-3,5-dicarboxylato)(μ3-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]

Authors: Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang

Source: Acta Crystallographica Section C, Volume 68, Number 3, 15 March 2012 , pp. m76-m79(4)

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Abstract:

The title compound, {[Cd₄(C₅H₂N₂O₄)(C₅HN₂O₄)₂(C₁₀H₈N₂)₂(H₂O)]·2H₂O}_n, crystallized in the monoclinic space group P2₁/n and displays a three-dimensional architecture. The asymmetric unit is composed of four crystallographically independent Cd^II centres, two triply deprotonated pyrazole-3,5-dicarboxylic acid molecules, one doubly deprotonated pyrazole-3,5-dicarboxylic acid molecule, two 2,2′-bipyridine ligands, one coordinated water molecule and two interstitial water molecules. Interestingly, the Cd^II centers exhibit two different coordination numbers. Two Cd^II centres adopt a distorted octahedral arrangement and a third a trigonal-prismatic geometry, though they are all hexacoordinated. However, the fourth Cd^II center is heptacoordinated and displays a pentagonal-bipyramidal geometry. The three anionic ligands adopt μ₃-, μ₄- and μ₅-bridging modes, first linking Cd^II centers into a one-dimensional wave-like band, then into a wave-like layer and finally into a three-dimensional coordination framework, which is stabilized by hydrogen bonds.

Document Type: Research article

DOI: http://dx.doi.org/10.1107/S0108270112005525

Publication date: 2012-03-15