Journal article

CRYSTALS enhancements: absolute structure determination

Abstract:: A summary of the features for investigating absolute structure available in the crystallographic refinement program CRYSTALS is presented, together with the results of analyses of 150 light-atom structures collected with molybdenum radiation carried out with these tools. The results confirm that the Flack and Hooft parameters are strongly indicative, even when the standard uncertainties are large compared to the thresholds recommended by Flack and Bernardinelli. © 2011 International Union of Crystallography.

Publication status:: Published

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APA Style

Thompson, A., & Watkin, D. (2011). CRYSTALS enhancements: absolute structure determination. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 44(5), 1017–1022.

MLA Style

Thompson, A., and D. Watkin. “CRYSTALS Enhancements: Absolute Structure Determination.” JOURNAL OF APPLIED CRYSTALLOGRAPHY, vol. 44, no. 5, 2011, pp. 1017–22.

Chicago Style

Thompson, A, and D Watkin. 2011. “CRYSTALS Enhancements: Absolute Structure Determination.” JOURNAL OF APPLIED CRYSTALLOGRAPHY 44 (5): 1017–22.
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Publisher copy:: 10.1107/S0021889811034066

Authors

+ Thompson, A More by this author

Institution:: University of Oxford
Division:: MPLS
Department:: Chemistry
Sub department:: Inorganic Chemistry
Role:: Author

+ Watkin, D More by this author

Role:: Author

Journal:: JOURNAL OF APPLIED CRYSTALLOGRAPHY More from this journal
Volume:: 44
Issue:: 5
Pages:: 1017-1022
Publication date:: 2011-10-01
DOI:: 10.1107/S0021889811034066
EISSN:: 1600-5767
ISSN:: 0021-8898

Language:: English
Keywords:: CRYSTALS

computer programs

absolute structure determination
Pubs id:: pubs:186193
UUID:: uuid:9ef5d963-3e75-4a2c-80a3-b0d6b0770970
Local pid:: pubs:186193
Source identifiers:: 186193
Deposit date:: 2012-12-19

Terms of use

Copyright date:: 2011

Licence:: Terms and Conditions of Use for Oxford University Research Archive

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