Crystal structure of aqua­(citric acid)(hydrogen citrato)calcium monohydrate, [Ca(HC(6)H(5)O(7))(H(3)C(6)H(5)O(7))(H(2)O)]·H(2)O, from synchrotron X-ray powder data, and DFT-optimized crystal structure of existing calcium hydrogen citrate trihydrate, [Ca(HC(6)H(5)O(7))(H(2)O)(3)]

The crystal structure of ‘aquabis­(di­hydrogen citrato)calcium hydrate’, better formulated as aqua­(citric acid)(hydrogen citrato)calcium monohydrate, (I), has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. The CaO(8) coord...

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Detalles Bibliográficos
Autor principal: Kaduk, James A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534247/
https://www.ncbi.nlm.nih.gov/pubmed/33117591
http://dx.doi.org/10.1107/S2056989020012864

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534247/
https://www.ncbi.nlm.nih.gov/pubmed/33117591
http://dx.doi.org/10.1107/S2056989020012864

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