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 MLn 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.