What is a Reduced Cell Check and what should I do if the structure I am depositing has hits?

When depositing a structure at the CCDC via the online deposition process, a search is automatically performed to compare the unit cell dimensions of your structure against all published structures in the Cambridge Structural Database (CSD) and the Inorganic Crystal Structure Database (ICSD).

During the validation stage, the Reduced Cell Check compares the reduced cell of your deposited data with the reduced cells of all published structures in the CSD. This type of search allows identification of matching structures regardless of differences in space group settings. If any matches are found within our default tolerances, a ‘View Hits’ button will appear. Clicking this button will direct you to view the possible matches via our free Access Structures service.

If your data corresponds to a structure that has already been published, you may still proceed with the deposition, and your structure can be published through the CSD. When publishing a redetermination of an existing structure, your structure will be linked within the same refcode family as the original. This linking allows users to easily explore related determinations. Additional datasets of previously published structures often provide valuable insights, and the CCDC actively encourages the deposition of all crystal data.