Data improvements in the 2020.0 CSD Release

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Written by

Seth Wiggin

Posted on

December 12, 2019

The CSD - The world’s essential database of crystal structures

After celebrating the huge milestone for structural chemistry with the addition of the millionth structure into the CSD in June 2019, the 2020.0 CSD Release now contains 1,034,174 entries and 1,016,168 unique structures. That means an increase of more than 60,000 entries, and we are well on our way to the next million!

Used by scientists worldwide, the CSD provides the complete crystal structure database for chemists working with organic and metal-organic compounds. The number of structures solely published through the CSD has continued to grow with over 5,000 new CSD Communications since the 2019.3 CSD Release in September. This year extra efforts have been made to include crystal structures that are not readily available electronically, with over 350 additional datasets manually created from the published data.

The 2020.0 CSD Release also contains targeted enhancements to existing entries with a particular focus on data integrity. Over 30,000 entries have been updated to give additional information and ensure more consistent search results. Enhancements this year include:

  • Review and addition of validated metal oxidation states to over 1,000 entries
  • A review of deposited data to ensure consistent and complete labelling of synchrotron, multipole and electron diffraction studies
  • Investigations into data integrity

one millionth structure in the CSD

CSD Refcode XOPCAJ (DOI 10.5517/ccdc.csd.cc20vdhs) the millionth structure added to the CSD


CSD (105)

CSD Communications (20)