Abstract
In the title complex, [Fe(C64H64N8O4)Cl]·0.5C6H5Cl·H2O, the equatorial iron–pyrrole N atom distance (Fe—Np) is 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit contains a quarter of an [FeIII(C64H64N8O4)Cl] complex molecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered molecules of chlorobenzene and water of solvation; the solvent molecules were excluded from the refinement.
Highlights
2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å
The asymmetric unit contains a quarter of an [FeIII(C64H64N8O4)Cl] complex molecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered molecules of chlorobenzene and water of solvation; the solvent molecules were excluded from the refinement
The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
Département de Chimie, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’environnement, 5019 Monastir, Tunisia, and bLaboratoire de Chimie de Coordination, CNRS UPR 8241, 205 route de Norbonne, 31077 Toulouse, Cedex. Key indicators: single-crystal X-ray study; T = 180 K; mean (C–C) = 0.004 Å; some non-H atoms missing; R factor = 0.060; wR factor = 0.180; data-to-parameter ratio =. In the title complex, [Fe(C64H64N8O4)Cl]0.5C6H5ClH2O, the equatorial iron–pyrrole N atom distance (Fe—Np) is. 2.065 (2) Å and the axial Fe—Cl distance is 2.207 (2) Å. The iron cation is displaced by 0.420 (4) Å from the 24-atom mean plane of the porphyrin core. The asymmetric unit contains a quarter of an [FeIII(C64H64N8O4)Cl] complex molecule, with a fourfold rotation axis passing through the central metal cation and the Cl ligand, along with disordered molecules of chlorobenzene and water of solvation; the solvent molecules were excluded from the refinement
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