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Deposit a Structure

Data should be deposited with the Cambridge Crystallographic Data Centre (CCDC) via our web-based CIF deposition and validation service at:

www.ccdc.cam.ac.uk/deposit

The CCDC accepts depositions of crystal structure data in CIF format from X-ray and neutron diffraction studies, and from powder studies using a constrained refinement, principally for:

  • organic compounds
  • metal-organic compounds

Some other structure types may also be accepted - please consult our FAQ page for more information.

The CCDC strongly encourages the inclusion of structure factor data with CIFs for deposition to the Cambridge Structural Database (CSD), in line with recommendations by the International Union of Crystallography (IUCr). For further information please check our FAQ page or the announcement from the IUCr.

IUCr information on new recommended publication standards for crystal structures

 Data depositions with the CCDC are of two main types:

  • Data for Publication in a Scientific Journal: if your structure(s) are being/have been submitted for publication in a journal. We encourage all researchers to deposit data with us prior to publication of a paper, and include deposition information in their manuscript. Alternatively, if your structure(s) have already been published in a journal, and you would like to deposit data with us so the CIF will be available to other scientists through the CSD.
  • Private Communications to the CSD: if your structure(s) are not intended for publication, but you wish them to be available to other scientists through the CSD .

The CCDC also provide the enCIFer program to check, edit and visualise crystallographic information files (CIFs). This free software allows seamless deposition to the CCDC via links to the web-based deposit form, further information is available from our free services section.

On receipt, all depositions are stored in the secure CCDC Supplementary Data Archive. The depositor will receive a confirmation email within 3 working days giving a summary of the data deposited and issuing a CCDC number for each structure. Structures deposited after April 2014 will receive a seven-digit CCDC number, any structures deposited before this date will have a six-digit number format. This number should be quoted in any subsequent publication or enquiries to the CCDC about that structure. After publication, deposited structures will be processed to the main distributed CSD, and the original deposited data will also be made freely available to all scientists on request, for bona fide research purposes.

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