3D molecular representation from a recently deposited organometallic crystal structure (CSD refcode UFOBEY) – in this case the CIF with embedded structure factors and refinement details was over 7MB in size
As the deposition of structure factors to the CSD is becoming much more common, we have also now provided a smoother mechanism for requesting this information through the CCDC Request a Structure webpage. Armed with either a CCDC deposition number or the DOI for the relevant publication, any user is now able to download a choice of the following; deposited CIFs with any embedded structure factor data included, deposited CIFs with any embedded structure factor stripped out or a zipped package of all the CIF(s) and any deposited structure factor files for the structure(s) in question.
Screenshot of the CCDC data request webpage with options for download formats including structure factors
We expect that the proportion of crystal structures deposited with structure factor data will continue to rise and hopefully at some point in the near future this will be the norm rather than the exception!