Relativistic Hirshfeld atom refinement of an organo-gold(I) compound

The main goal of this study is the validation of relativistic Hirshfeld atom refinement (HAR) as implemented in Tonto for high-resolution X-ray diffraction datasets of an organo-gold(I) compound. The influence of the relativistic effects on statistical parameters, geometries and electron density pro...

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Detalles Bibliográficos
Autores principales: Pawlędzio, Sylwia, Malinska, Maura, Woińska, Magdalena, Wojciechowski, Jakub, Andrade Malaspina, Lorraine, Kleemiss, Florian, Grabowsky, Simon, Woźniak, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8256711/
https://www.ncbi.nlm.nih.gov/pubmed/34258009
http://dx.doi.org/10.1107/S2052252521004541

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8256711/
https://www.ncbi.nlm.nih.gov/pubmed/34258009
http://dx.doi.org/10.1107/S2052252521004541

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