Issue 7, 2007

Space group selection for crystal structure prediction of solvates

Abstract

The most populated space groups for a selection of solvates of chiral and achiral molecules with common solvents are presented to assist crystal structure prediction calculations on these complex systems.

Graphical abstract: Space group selection for crystal structure prediction of solvates

Supplementary files

Additions and corrections

Article information

Article type
Paper
Submitted
09 Feb 2007
Accepted
14 Mar 2007
First published
23 Mar 2007

CrystEngComm, 2007,9, 556-560

Space group selection for crystal structure prediction of solvates

A. J. Cruz Cabeza, E. Pidcock, G. M. Day, W. D. S. Motherwell and W. Jones, CrystEngComm, 2007, 9, 556 DOI: 10.1039/B702073B

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