Inscrit le: 22 Avr 2018
|Posté le: Ven 18 Mai - 07:10 (2018) Sujet du message: Problem with large residual density peak(s) in metal complex
For several structures which I've solved I'm left with one or more large residual density (Q) peaks, typically 1-4 e/A3. All other quality factors are usually very good. These have been of crystals containing metal complexes with a single heavy metal atom in the asymmetric unit but the density isn't around the heavy atom. There is usually no sign of twinning so I presume it's an artefact of how I'm processing the data. I'm using SAINT+ for the integration SADABS for the absorbtion correction and SHELXL for the refinements. Any ideas why this is happening? All help gratefully received.
I didn't find the right solution from the Internet.
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