Automated derivation of structural class symbols and extended Z′ descriptors for molecular crystal structures in the Cambridge Structural Database

CrystEngComm

Volumn 10, Issue 4, 2008, Pages 411-415

  Bond, Andrew D ^a  

^a UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 41649110033     PISSN: 14668033     EISSN: 14668033     Source Type: Journal    
DOI: 10.1039/b800642c     Document Type: Article

References (19)

1. A convenient point of access to the Z′ literature is provided at: http//www.dur.ac.uk/zprime
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10. A special journal issue dedicated to Petr M. Zorky has recently been published: Struct. Chem., 2007, 18, 423
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13. The simulated CIF format generated by ConQuest contains a complete list of atomic coordinates, including those generated by the symmetry operators of the space group, for each crystallographically distinct molecule. Thus, symmetry expansion need not be applied at this stage when handling CIFs simulated from ConQuest
14. H. Wondratschek, International Tables for Crystallography Volume A, 5th edn, ed., Th. Hahn,, p. 732
15. The program was constructed within the Microsoft C# (.NET) environment
16. P. M. Zorky J. Mol. Struct. 1996 374 9
17. T. Steiner Acta Crystallogr., Sect. B 2000 56 673
18. N. Padmaja S. Ramakumar M. A. Viswamitra Acta Crystallogr., Sect. A 1990 46 725
19. J. W. Steed CrystEngComm 2003 5 169