CRYSTALS enhancements: absolute structure determination

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...

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Những tác giả chính: Thompson, A, Watkin, D
Định dạng: Journal article
Ngôn ngữ:English
Được phát hành: 2011
Miêu tả
Tóm tắt: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.