Challenges in direct-space structure determination from powder diffraction data:: A molecular material with four independent molecules in the asymmetric unit

被引:60
作者
Albesa-Jové, D
Kariuki, BM
Kitchin, SJ
Grice, L
Cheung, EY
Harris, KDM
机构
[1] Cardiff Univ, Dept Chem, Cardiff CF10 3TB, S Glam, Wales
[2] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England
关键词
direct-space techniques; genetic algorithms; hydrogen bonds; structure elucidation; X-ray diffraction;
D O I
10.1002/cphc.200301078
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Complex structure from powder diffraction: The direct-space strategy for carrying out structure solution directly from powder X-ray diffraction data has been applied successfully in the challenging case of a molecular cocrystal (see graphic) containing four independent molecules in the asymmetric unit.
引用
收藏
页码:414 / 418
页数:5
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