The Library
Recent advances in opportunities for solving molecular crystal structures directly from powder diffraction data: new insights in crystal engineering contexts
Tools
Harris, K. D. M., Johnston, R. L., Cheung, E. Y., Turner, G. W., Habershon, Scott, Albesa-Jove, D., Tedesco, E. and Kariuki, B. M. (2002) Recent advances in opportunities for solving molecular crystal structures directly from powder diffraction data: new insights in crystal engineering contexts. CrystEngComm, Vol. 63 . pp. 356-367. doi:10.1039/b202832h ISSN 1466-8033.
Research output not available from this repository.
Request-a-Copy directly from author or use local Library Get it For Me service.
Official URL: http://dx.doi.org/10.1039/B202832H
Abstract
Crystalline solids that can be prepared only as microcrystalline powders are not suitable for structural investigation using single crystal diffraction techniques, and it is necessary instead to carry out structure determination using powder diffraction data. In this paper we highlight recent advances in the opportunities for solving molecular crystal structures directly from powder diffraction data, focusing on a direct-space strategy in which a hypersurface based on the powder profile R-factor R-wp is searched using a Genetic Algorithm. Some recent fundamental developments are described, and the application of the method is illustrated by the structure determination of a range of materials, giving particular focus to the opportunities to exploit these techniques within the context of structural rationalization towards crystal engineering strategies.
Item Type: | Journal Article | ||||
---|---|---|---|---|---|
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Journal or Publication Title: | CrystEngComm | ||||
Publisher: | Royal Society of Chemistry | ||||
ISSN: | 1466-8033 | ||||
Official Date: | July 2002 | ||||
Dates: |
|
||||
Volume: | Vol. 63 | ||||
Page Range: | pp. 356-367 | ||||
DOI: | 10.1039/b202832h | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
Request changes or add full text files to a record
Repository staff actions (login required)
View Item |