​​The Cambridge Crystallographic Data Centre (CCDC).
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How should I reference the CSD?

Solution

The preferred general citation to the Cambridge Structural Database is: 

The Cambridge Structural Database
C. R. Groom, I. J. Bruno, M. P. Lightfoot and S. C. Ward, Acta Cryst. (2016). B72, 171-179
DOI: 10.1107/S2052520616003954