Research Article: Aqua­trichlorido(1-cyano­methyl-4-aza-1-azoniabicyclo­[2.2.2]octane-κN4)copper(II) monohydrate

Date Published: May 01, 2012

Publisher: International Union of Crystallography

Author(s): Qinqin Zhou, Yi Zhang.


The asymmetric unit of the title compound, [CuCl3(C8H14N3)(H2O)]·H2O, comprises a neutral complex and a mol­ecule of free water. The complex contains coordinated CuII ions, with Cu—Cl distances ranging from 2.3471 (8) to 2.4011 (8) Å, and with Cu—N and Cu—O distances of 2.0775 (19) and 2.0048 (18) Å, respectively. The resulting coordination polyhedron is a trigonal bipyramid with the Cl atoms in the equatorial plane. In the crystal, O—H⋯Cl and O—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional structure.

Partial Text

For background to dielectric-ferroelectric materials, see: Fu et al. (2010 ▶); Zhang et al. (2008 ▶). The title compound was prepared in an attempt to make analogs of (dabcoH2)2Cl3[CuCl3(H2O)2]·H2O (Wei & Willett, 1996 ▶) and (dabcoH2)CuCl4 and Zn(dabcoH)Cl3 (Wei & Willett, 2001 ▶) (dabco is 1,4-diazabicyclo[2.2.2]octan).