Hydrate isomerism in [Cu(en)(2)(H2O)(1.935)](2)[Fe(CN)(6)]center dot 4H(2)O

作者：Kuchar J^*; Cernak J; Massa W

来源：Acta Crystallographica Section C-Crystal Structure Communications, 2004, 60: M418-M420.

DOI：10.1107/S0108270104014581

The title compound, bis[diaquabis(ethylenediamine-kappa(2)N,N')copper(II)] hexacyanoiron(II) tetrahydrate, [Cu(C2H8N2)(2)(H2O)(1.935)](2)[Fe(CN)(6)].4H(2)O, was crystallized from an aqueous reaction mixture initially containing CuSO4, K-3[Fe(CN)(6)] and ethylenediamine (en) in a 3:2:6 molar ratio. Its structure is ionic and is built up of two crystallographically different cations, viz. [Cu(en)(2)(H2O)(2)](2+) and [Cu(en)(2)(H2O)(1.87)](2+), there being a deficiency of aqua ligands in the latter, [Fe(CN)(6)](4-) anions and disordered solvent water molecules. All the metal atoms lie on centres of inversion. The Cu atom is octahedrally coordinated by two chelate-bonded en molecules [mean Cu - N = 2.016 (2) Angstrom] in the equatorial plane, and by axial aqua ligands, showing very long distances due to the Jahn-Teller effect [mean Cu - O = 2.611 (2) Angstrom]. In one of the cations, significant underoccupation of the O-atom site is observed, correlated with the appearance of a non-coordinated water molecule. This is interpreted as the partial contribution of a hydrate isomer. The [Fe(CN)(6)](4-) anions form quite regular octahedra, with a mean Fe - C distance of 1.913 (2) Angstrom. The dominant intermolecular interactions are cation-anion O - H ... N hydrogen bonds and these interactions form layers parallel to (001).

• 出版日期2004-8