Date Published: March 01, 2012
Publisher: International Union of Crystallography
Author(s): Eduard N. Chygorin, Svitlana R. Petrusenko, Volodymyr N. Kokozay, Irina V. Omelchenko, Oleg V. Shishkin.
The title compound, [Co(C10H8N2)3][Fe(C2O4)3]·H2O, consists of two discrete tris(chelate) metal ions (CoIIIN6 and FeIIIO6 chromophores) and a water molecule. The structure is highly symmetrical; the CoIII and FeIII ions occupy positions with site symmetry 3.2. The coordination polyhedra of the metal atoms have a nearly octahedral geometry with noticeable trigonal distortions. The Co—N and Fe—O bond lengths are equal by symmetry, viz. 1.981 (2) and 1.998 (4) Å, respectively. The cations and anions are arranged alternately along their threefold rotation axes parallel to , forming chains that are packed in a hexagonal manner. The water molecules occupy voids between the chains. The crystal under investigation was an inversion twin.
For general background to direct synthesis, see: Makhankova (2011 ▶). For bond-valance sum calculation, see: Brown & Altermatt (1985 ▶) (http://www.iucr.org/resources/data/datasets/bond-valence-parameters). For related structures, see: Chygorin et al. (2010 ▶); Coronado et al. (2000 ▶); Devi et al. (2003 ▶); Jun & Zhang (2010 ▶); Yanagi et al. (1981 ▶); Zhang et al. (2009 ▶). For measuring of trigonal distortion angles, see: Muetterties & Guggenberger (1974 ▶).