There is currently no specific technical publication to cite for the new generation of the CSD web interface, including its simple and substructure searching capabilities.
If you are making use of CSD data in a publication, please cite the core CSD reference paper:
The Cambridge Structural Database C. R. Groom, I. J. Bruno, M. P. Lightfoot, S. C. Ward, Acta Cryst. (2016) B72, 171-179. DOI: 10.1107/S2052520616003954
If you would also like to cite the CSD web interface specifically, you may use the following reference:
CCDC (2017). CSD web interface – intuitive, cross-platform, web-based access to CSD data. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, UK.
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