A question about crystal explorer. Can we do Hirshfeld Analysis using the cif file generated from the pdf file which is generated from a gaussian output file? I tried but failed. But experimental XRD files can give results. I made cif files using Open Babel and Mercury. Still same results.
Wagner Da Nova Mussel
Dear Renjith,
Very likely you got a syntax problem with your CIF file.
I suggest you to open your file in Mercury or enCIFer program.
Usually, they can read some mismatched syntax and correct then as you save the file from within. You can see the CIF file results in GUI directly. Check your structure before save the CIF to use it in Crystal Explorer.
I hope it helps somehow.
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