Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNP CH2-i Pr)(CO)2 Cl]

Abstract

Crystals of cis-Re[(PNP CH2-iPr)(CO)2 Cl] (1) are made up of two geometrically non-equivalent polytypes with respective symmetries of P2 1/c and I2/a. The structures were determined in a concurrent refinement, taking into account overlap of diffraction spots. The polytypes are composed of layers with p x 12 1/c1 symmetry and are of the non-order-disorder (OD) type (the layer interfaces are non-equivalent). Whereas the molecules of (1) differ in both polytypes, the Re atoms are located at nearly identical positions.