Abstract
In the title compound, [FeCl2(C24H21N7)]Cl·C4H8O·H2O, the FeIII atom is coordinated by four N atoms of the polybenzimidazole ligand and two Cl atoms in a distorted octahedral environment. The cation, anion, the uncoordinated water molecule and the THF solvent molecule are linked by hydrogen bonds into a three-dimensional network structure. The THF molecule is disordered with two sets of sites in a 0.58 (1):0.42 (2) ratio..
Highlights
FeIII atom is coordinated by four N atoms of the polybenzimidazole ligand and two Cl atoms in a distorted octahedral environment
The cation, anion, the uncoordinated water molecule and the THF solvent molecule are linked by hydrogen bonds into a three-dimensional network structure
The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2
Summary
Key indicators: single-crystal X-ray study; T = 292 K; mean (C–C) = 0.005 Å; disorder in solvent or counterion; R factor = 0.047; wR factor = 0.116; data-toparameter ratio = 13.7. FeIII atom is coordinated by four N atoms of the polybenzimidazole ligand and two Cl atoms in a distorted octahedral environment. The cation, anion, the uncoordinated water molecule and the THF solvent molecule are linked by hydrogen bonds into a three-dimensional network structure. 0.58 (1):0.42 (2) ratio..
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