Acta Cryst. (2005). E61, m1337-m1339  [ doi:10.1107/S1600536805018271 ]

A gadolinium-based metal-organic framework, poly[[tris(₄-benzene-1,4-dicarboxylato)bis(₂-N,N-diethylformamide)digadolinium(III)] monohydrate]

R. D. Poulsen, J. Overgaard, M.-A. Chevallier, H. F. Clausen and B. B. Iversen

Abstract: The crystal structure of the title compound, {[Gd₂(C₈H₄O₄)₃(C₅H₁₁NO)₂]·H₂O}_n, consists of chains of Gd atoms interconnected by a benzene-1,4-dicarboxylate (BDC) linker. The chains are also intraconnected by carboxylate groups from the BDC linker, thus generating a three-dimensional framework with large cavities. The coordination of the eight carboxylate O atoms around the Gd^III ion is distorted dodecahedral, due to the steric constraints of the carboxylate groups. The large anisotropic displacement parameters of the atoms of the coordinated diethylformamide (DEF) and the disorder in their positions indicate loose bonding to the framework, and hence solvent exchange may be possible. Additionally, one water molecule is located in the cavity.

Online 17 June 2005

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