Acta Crystallographica Section B

Structural Science

Volume 57, Part 6 (December 2001)

Acta Cryst. (2001). B57, 800-805 [doi:10.1107/S0108768101014331]

Use of software to search for higher symmetry: space group C2

R. E. Marsh and A. L. Spek

Abstract: From a search of the October 2000 release of the Cambridge Structural Database we find coordinate data for approximately 1500 entries under space group No. 5: or, occasionally, , or . Software designed to detect cases of missed higher symmetry identified 144 entries for detailed inspection. Of these, 50 should, we believe, be revised to space groups of higher symmetry. The most common revision is to space group , which entails adding a center of inversion and usually results in important changes in bond lengths and angles.

Online 29 November 2001


	Text file (64.1 kbytes) Supplementary material

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.