A complex containing both five- and six-coordinate

Abstract

The title compound, aquachloro4,4'-dibromo-2, 2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato-O,N,N', O'iron(III)-chloro4,4'-dibromo-2, 2'-[o-phenylenebis(nitrilomethyli-dyne)]diphenolato-O,N,N', O'iron(III)-dimethylformamide (1/1/1), [FeCl(C(20)H(12)Br(2)N(2)O(2))][FeCl(C(20)H(12)Br(2)N(2)O(2))(H(2)O)] .C(3)H(7)NO, contains one independent five-coordinate [FeCl(C(20)H(12)Br(2)N(2)O(2))] monomer, one six-coordinate [FeCl(C(20)H(12)Br(2)N(2)O(2))(H(2)O)] monomer and a non-coordinating dimethylformamide solvent molecule in the asymmetric unit. In the five-coordinate monomer, the Fe atom shows distorted square-pyramidal geometry, with the N and O atoms of the ligand at the base and the Cl atom at the apex of the pyramid. In the six-coordinate monomer, the Fe atom is in a distorted octahedral geometry and coordinated by the donor atoms of the tetrafunctional ligand in the horizontal plane, and the coordination sphere is completed by the O atom of the water molecule and the Cl atom at the axial positions. The title compound contains intermolecular O-H.O hydrogen bonds. Apart from these hydrogen bonds, there are also intermolecular C-H.Cl and C-H.O contacts.