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Structure matching: measures of similarity and pseudosymmetry

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, Pro...

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Publication status:
Published

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Publisher copy:
10.1107/S0021889806038489

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
Journal:
JOURNAL OF APPLIED CRYSTALLOGRAPHY More from this journal
Volume:
39
Issue:
6
Pages:
842-849
Publication date:
2006-12-01
DOI:
EISSN:
1600-5767
ISSN:
0021-8898
Language:
English
Keywords:
Pubs id:
pubs:40119
UUID:
uuid:cd5fcf2a-8bb2-4980-a352-ed9892854279
Local pid:
pubs:40119
Source identifiers:
40119
Deposit date:
2012-12-19

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