A recent publication called Same or different – that is the question: identification of crystal forms from crystal structure data has been recently published in CrystEngComm CSD special, also featuring a front cover by Pietro Sacchi, Matteo Lusi, SSPC investigator, Aurora J. Cruz-Cabeza, Elisa Nauhac & Joel Bernstein (RIP).
The correct identification and recognition of different solid forms is critical in chemical crystallography. Traditionally this task required careful crystallographic analyses of the experimental crystals’ structure, morphology and physical properties. In the information era, however, and with the growing availability of structures in the Cambridge Structural Database (CSD), we rely more and more on the comparison of experimental data to data available in databases stored often as structural CIF files. The CSD represents the first example of modern scientific database collecting over one million crystal structure data.
SSPC are hosted at the Bernal Institute at the University of Limerick and CSD was inspired by it’s namesake JD Bernal.
Link to the full article here
