Dear experts:
I want to take Hirshfeld surface for two components of disorder for my complex. Can I use Olex2 to get component1 cif by deleting the disordered atoms from parent compound in Olex2 and save it without further refinement because the refinement of componet1 gives the disordered parent complex. Then I would use the cif to get the Hirshfeld.
Thank you and best regards
Adnan M. Qadir
I provide you with the answers to your question below :
YES, you can use Olex2 to get the component 1 cif by deleting the disordered atoms from the parent compound and saving it without further refinement. This is because the Hirshfeld surface is calculated based on the atomic positions in the cif file, and the disordered atoms will not affect the calculation of the Hirshfeld surface.
Here are the steps on how to do this:
Thank you very much Dr. Mohd.
Kindly, do you have a related work on disorder?
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