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

Albesa-Jove, David, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Kitchin, Simon J., Grice, Leanne, Cheung, Eugene Y. and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 2004. Challenges in direct-space structure determination from powder diffraction data: a molecular material with four independent molecules in the asymmetric unit. Chemphyschem -Weinheim- 5 (3) , pp. 414-418. 10.1002/cphc.200301078

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Abstract

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.

Item Type:	Article
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Uncontrolled Keywords:	direct-space techniques ; genetic algorithms ; hydrogen bonds;structure elucidation ; X-ray diffraction
Publisher:	Wiley-Blackwell
ISSN:	1439-4235
Last Modified:	18 Oct 2022 13:10
URI:	https://orca.cardiff.ac.uk/id/eprint/12760

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