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Published December 2001 | Published + Supplemental Material
Journal Article Open

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


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: C2 or, occasionally, A2, I2 or B112. 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 C2/m, which entails adding a center of inversion and usually results in important changes in bond lengths and angles.

Additional Information

© 2001 International Union of Crystallography. Received 17 April 2001; Accepted 31 August 2001.

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Published - bk0095.pdf

Supplemental Material - sendsupfiles.txt


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