Cambridge Crystallographic Data Centre
Overview
The Cambridge Crystallographic Data Centre (CCDC) is a non-profit, charitable institution based in Cambridge, England. It is dedicated to the advancement of crystallography and the study of molecular and solid-state structures. The CCDC maintains and develops the Cambridge Structural Database (CSD), a fully curated and comprehensive resource in the field of crystallography. The CSD contains detailed information on crystal structures, including atomic coordinates, space groups, and thermal parameters.
History
The CCDC was established in 1965 by Dr. Olga Kennard, who recognized the need for a centralized repository for crystallographic data. The initial aim was to compile a complete listing of organic and metal-organic crystal structures. Over time, the scope of the database expanded to include inorganic compounds and more complex structures.
Cambridge Structural Database
The Cambridge Structural Database (CSD) is the primary product of the CCDC. It is a repository of experimentally determined crystal structures of organic and metal-organic compounds. The CSD is updated on a monthly basis, with new structures added from the latest scientific literature and direct deposits from researchers. As of 2020, the CSD contains over one million entries.
Data Collection and Curation
Data for the CSD is collected from a variety of sources, including scientific journals, private communications, and direct deposits from researchers. Each entry in the database is manually curated by a team of expert scientists at the CCDC. The curation process involves checking the data for accuracy and consistency, and adding value through the inclusion of additional information such as chemical connectivity.
Software and Services
In addition to the CSD, the CCDC provides a range of software tools and services to aid researchers in the exploration and analysis of crystallographic data. These include software for visualizing and analyzing structures, predicting crystal structures, and performing data mining on the CSD.
Impact and Applications
The data and tools provided by the CCDC are used by researchers worldwide in a wide range of scientific disciplines, including chemistry, materials science, and pharmaceuticals. The CSD, in particular, is a valuable resource for researchers studying molecular and solid-state structures, and has been cited in thousands of scientific publications.