Crystal structure of platinum phthalocyanine: a re-investigation

Abstract

A re-determination of the crystal structure of platinum phthalocyanine has shown that there are two closely similar structures, both differing from that published by Robertson and Woodward. The basal projection of the original structure agrees with those of the two structures here described, but the space groups and three-dimensional packing are different. The structures of both polymorphs have been worked out using three-dimensional X-ray diffraction data; for the α-form 1410 structure amplitudes were used, resulting in R= 4·3%, and for the γ-form 1024 terms gave R= 5·2%. The molecular dimensions and the configurations of the two polymorphs are identical, the only differences between the structures being the manner of packing the molecules in space.