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Influence of modelling disorder on Hirshfeld atom refinement results of an organo-gold(I) compound

Details of the validation of disorder modelling with Hirshfeld atom refinement (HAR) for a previously investigated organo-gold(I) compound are presented here. The impact of refining disorder on HAR results is discussed using an analysis of the differences of dynamic structure factors. These dynamic...

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Principais autores: Sylwia Pawlędzio, Maura Malinska, Florian Kleemiss, Simon Grabowsky, Krzysztof Woźniak
Format: Artigo
Sprog:Inglês
Udgivet: International Union of Crystallography 2022-07-01
Serier:IUCrJ
Fag:
disorder
hirshfeld atom refinement
heavy elements
relativistic effects
quantum crystallography
Online adgang:http://scripts.iucr.org/cgi-bin/paper?S2052252522005309
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