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]

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The title compound, {[Cd4(C5H2N2O4)(C5HN2O4)2(C10H8N2)2(H2O)]ยท2H2O} n , crystallized in the monoclinic space group P21/n and displays a three‐dimensional architecture. The asymmetric unit is composed of four crystallographically independent CdII 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 CdII centers exhibit two different coordination numbers. Two CdII centres adopt a distorted octahedral arrangement and a third a trigonal–prismatic geometry, though they are all hexacoordinated. However, the fourth CdII center is heptacoordinated and displays a pentagonal–bipyramidal geometry. The three anionic ligands adopt μ3‐, μ4‐ and μ5‐bridging modes, first linking CdII 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: March 15, 2012

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