2008
DOI: 10.1107/s0021889807067908
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Abstract: The program Mercury, developed by the Cambridge Crystallographic Data Centre, is designed primarily as a crystal structure visualization tool. A new module of functionality has been produced, called the Materials Module, which allows highly customizable searching of structural databases for intermolecular interaction motifs and packing patterns. This new module also includes the ability to perform packing similarity calculations between structures containing the same compound. In addition to the Materials Modu… Show more

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Cited by 8,061 publications
(6,164 citation statements)
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References 13 publications
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“…[68] The files CCDC 971370-97135 contain the supplementary crystallographic data. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, U.K.; fax +44 1223 336033; e-mail deposit@ccdc.cam.ac.uk).…”
Section: Crystal Structure Determinationmentioning
confidence: 99%
“…[68] The files CCDC 971370-97135 contain the supplementary crystallographic data. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, U.K.; fax +44 1223 336033; e-mail deposit@ccdc.cam.ac.uk).…”
Section: Crystal Structure Determinationmentioning
confidence: 99%
“…ORTEP and molecular packing figures were drawn with the programme Mercury v. 2.4. 43,44 CCDC 993832 and 993833 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge via http://www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: (+44) 1223-336-033; or e-mail: deposit@ccdc.cam.ac.uk).…”
Section: Crystal Structure Determinationsmentioning
confidence: 99%
“…The final structural models were analyzed using PLATON. 19 Molecular graphics were prepared in Mercury, 20 ORTEP-3, 21 and POV-Ray. 22 Patterns used for qualitative X-ray powder diffraction (PXRD) analysis of the samples were collected on a Philips PW 3710 diffractometer, CuKα radiation, flat plate sample on a zero background in Bragg-Brentano geometry, tension 40 kV, current 40 mA.…”
Section: X-ray Crystallographic Studymentioning
confidence: 99%