Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 4 (April 2003)

metal-organic compounds

Acta Cryst. (2003). C59, m130-m131 [ doi:10.1107/S0108270103003469 ]

[Cu{C₂(COO)₂}(H₂O)₃]·H₂O, the first copper complex of acetylenedicarboxylic acid

H. Billetter, F. Hohn, I. Pantenburg and U. Ruschewitz

Abstract: In the title compound, catena-poly[[[triaquacopper(II)]- [mu] -acetylenedicarboxylato- [kappa] ²O:O''] hydrate], {[Cu(C₄O₄)(H₂O)₃]·H₂O}_n, the Cu^II ion is coordinated by two monodentate carboxylate groups in trans positions and three water molecules, thus forming a fivefold coordination polyhedron that can be described as a distorted square pyramid. All atoms are located on general sites. The polyhedra are connected by bifunctional acetylenedicarboxylate ligands, to form almost linear chains parallel to [001]. Hydrogen bonds involving the non-coordinated water molecule connect these chains to form a three-dimensional framework.

Formula: [Cu(C₄O₄)(H₂O)₃]·H₂O