How should I reference Mercury?

Modified on Wed, 5 Mar at 9:08 AM

The latest reference for Mercury is:

Mercury 4.0: from visualization to analysis, design and prediction
C. F. Macrae, I. Sovago, S. J. Cottrell, P. T. A. Galek, P. McCabe, E. Pidcock, M. Platings, G. P. Shields, J. S. Stevens, M. Towler and P. A. Wood, J. Appl. Cryst., 53, 226-235, 2020
[DOI: 10.1107/S1600576719014092]

For references for specific algorithms used by Mercury, check the Mercury User Guide.

Previous publications highlighting new Mercury functionality that may be of interest include:

Mercury CSD 2.0 - New Features for the Visualization and Investigation of Crystal Structures
C. F. Macrae, I. J. Bruno, J. A. Chisholm, P. R. Edgington, P. McCabe, E. Pidcock, L. Rodriguez-Monge, R. Taylor, J. van de Streek and P. A. Wood, J. Appl. Cryst., 41, 466-470, 2008
[DOI: 10.1107/S0021889807067908]

Mercury: visualization and analysis of crystal structures
C. F. Macrae, P. R. Edgington, P. McCabe, E. Pidcock, G. P. Shields, R. Taylor, M. Towler and J. van de Streek, J. Appl. Cryst., 39, 453-457, 2006
[DOI: 10.1107/S002188980600731X]

New software for searching the Cambridge Structural Database and visualising crystal structures
I. J. Bruno, J. C. Cole, P. R. Edgington, M. K. Kessler, C. F. Macrae, P. McCabe, J. Pearson and R. Taylor, Acta Cryst., B58, 389-397, 2002
[DOI: 10.1107/S0108768102003324]

Rules governing the crystal packing of mono- and di-alcohols R. Taylor and C. F. Macrae, Acta Cryst., B57, 815-827, 2001
[DOI: 10.1107/S0108768102003324]