Abstract
The crystal and molecular structure of the low-spin compound (Fe(TPP)(HIm)/sub 2/)Cl has been determined by X-ray diffraction methods. The asymetric unit of structure contains two independent half (Fe(TPP)(HIm)/sub 2/)/sup +/ ions. Each ion has required inversion symmetry, and the two axial ligand planes within each ion are thus parallel. The two ions have distinctly different orientations of the imidazoles with respect to the porphyrin and give rise to two overlapping EPR signals. The differing orientations of the axial ligands also lead to changes in the rhombicity of the coordination bond parameters, a previously unrecognized effect in low-spin ferric porphyrinates. The differing orientations of the axial ligands appear to result from participation in an extended hydrogen bonding network in the crystalline lattice. Crystal data: space group P anti 1, Z = 2, a = 13.331 (2) A, b = 17.688 (3) A, c = 11.213 (2) A, ..cap alpha.. = 107.99 (1)/sup 0/, ..beta.. = 94.70 (1)/sup 0/, and ..gamma.. = 69.68 (1)/sup 0/ at 292 K.
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