Date Published: May 01, 2010
Publisher: International Union of Crystallography
Author(s): Zhi-Gang Li, Shao-Ai Li, De-Quan Liu, Long He, Jing-Wei Xu.
The title compound, [Cu3(C5HN2O4)2(C12H8N2)2(H2O)4]·2H2O, is a trinuclear copper(II) complex in which two centrosymmetrically related pyrazole-3,5-dicarboxylate(3−) and 1,10-phenanthroline ligands bind three CuII atoms, with one CuII atom located on a center of symmetry. In each complex, there are four coordinated water molecules and two solvent water molecules, which participate in extensive hydrogen-bond patterns. These interactions, as well as π–π interactions between neighbouring 1,10-phenanthroline ligands [shortest atom-to-atom distance = 3.363 (3) Å], extend the crystal structure into a three-dimensional supramolecular network.
For the potential applications of novel coordination architectures as new classes of materials, see: Kitagawa et al. (2004 ▶). The potential coordination sites of 3,5-pyrazoledicarboxylate are highly accessible to metal ions, see: Li (2005 ▶). However, divalent copper ions have rarely been coordinated with 3,5-pyrazoledicarboxylic acid at ambient temperature, see: King et al. (2003 ▶).