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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

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