Systematic analysis of metal coordination sphere geometry from crystallographic data: a general method for detecting geometrical preferences, deformations and interconversion pathways

Abstract

A simple and general computational procedure using the L–M–L angles for all crystallographic observations of an ML_n coordination sphere generates mappings which reveal geometrical preferences, deformations from standard polyhedral geometries, and interconversions between polyhedral forms; a systematic analysis of the geometry of seven-coordination is described.