The Crystal and Molecular Structure of Chloro-α,β,γ,δ-tetraphenylporphinatocobalt(III)

Abstract

The structure of the title compound, C44H28N4CoCl, has been determined by single-crystal X-ray diffraction. The crystals are body-centered tetragonal, with a=b=13.693(2), c=9.701(2) Å, and Z=2. The space group was determined to be I4 from the measurement of the anomalous dispersion effect. The structure was predicted prior to the X-ray analysis from the calculation of the intermolecular van der Waals energy; the result agreed quite well with the experimentally determined structure. A tetragonal pyramidal five coordination with the chlorine atom at the apex was found for the cobalt atom. The cobalt-chlorine distance is 2.149 (6) Å, about 0.1 Å shorter than those found in ordinary octahedral coordinations.