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Using invariom modelling to distinguish correct and incorrect central atoms in ‘duplicate structures’ with neighbouring 3d elements
Modelling coordination compounds has been shown to be feasible using the invariom method; for the best fit to a given set of diffraction data, additional steps other than using lookup tables of scattering factors need to be carried out. Here such procedures are applied to a number of ‘duplicate stru...
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| Publicat a: | Acta Crystallogr B Struct Sci Cryst Eng Mater |
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| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
International Union of Crystallography
2017
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5628397/ https://ncbi.nlm.nih.gov/pubmed/28980983 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052520617010745 |
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