Using cluster analysis to study transition-metal geometries: four-coordinate complexes with two salicylaldiminato or related ligands.
Cluster analysis is shown to be an effective method to analyse and classify metal coordination geometry in a very large number of four-coordinate bis-salicylaldimato (or bis-beta-iminoketonate) transition-metal complexes available in the Cambridge Structural Database. The methods described require no prior knowledge of chemistry to be input; retrieved structures are automatically clustered into groups based purely on the geometric similarity of the fragments and these groupings can then be interpreted by the structural chemist.
Parkin
Andrew
A
WestCHEM, Department of Chemistry, University of Glasgow, Glasgow G12 8QQ, Scotland. a.parkin@chem.gla.ac.uk
Barr
Gordon
G
Collins
Anna
A
Dong
Wei
W
Gilmore
Christopher J
CJ
Tasker
Peter A
PA
Wilson
Chick C
CC