A. Elmali et al., A complex containing both five- and six-coordinate [bis(5-bromosalicylidene)benzene-1,2-diimine]chloroiron(III), ACT CRYST C, 56, 2000, pp. 1097-1099
The title compound, aquachloro{4,4'-dibromo-2,2'-[o-phenylenebis(nitrilomet
hylidyne)]diphenolato-O,N,N',O'}iron(III)-chloro{4,4'-dibromo-2,2'-[o-pheny
lenebis(nitrilomethylidyne)]diphenolato-O,N,N',O'}iron(III)-dimethylformami
de (1/1/1), [FeCl(C20H12Br2N2O2)][FeCl(C20H12Br2N2O2)(H2O)]. C3H7NO, contai
ns one independent five-coordinate [FeCl(C-20 H12Br2N2O2)] monomer, one six
-coordinate [FeCl(C20H12Br2N2O2)(H2O)] monomer and a non-coordinating dimet
hylformamide solvent molecule in the asymmetric unit. In the five-coordinat
e 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 octah
edral geometry and coordinated by the donor atoms of the tetrafunctional li
gand in the horizontal plane, and the coordination sphere is completed by t
he 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 fro
m these hydrogen bonds, there are also intermolecular C-H ... Cl and C-H ..
. O contacts.