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- Title
Structure matching: measures of similarity and pseudosymmetry.
- Authors
Cooper, Richard I.; Collins, Anna; Watkin, David J.
- Abstract
A sizeable proportion of structures with Z′ = 2 are thought to exhibit pseudosymmetry, but establishing the extent of the deviation from true symmetry is problematic. By considering both the conformational similarity between the independent molecules and the way in which they are related in space, assessment of the pseudosymmetry of a structure becomes possible. A method of matching two groups of atoms where both these factors are quantified using CRYSTALS [Betteridge, Carruthers, Cooper, Prout & Watkin (2003). J. Appl. Cryst. 36, 1487] is described.
- Subjects
PHYSICAL &; theoretical chemistry; CRYSTALLOGRAPHY; SYMMETRY; PHYSICAL sciences; ASTERISM (Crystallography); FREE surfaces (Crystallography)
- Publication
Journal of Applied Crystallography, 2006, Vol 39, Issue 6, p842
- ISSN
0021-8898
- Publication type
Other
- DOI
10.1107/S0021889806038489