Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison

Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison

The crystal structure of dirubidium hydrogen citrate, 2Rb+·HC6H5O72−, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The un-ionized carboxylic acid group forms helical chains of very strong hydrogen bonds (O...O ∼ 2.42 Å...

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Bibliographic Details
Main Authors: Alagappa Rammohan, James A. Kaduk
Format: Article
Language:English
Published: International Union of Crystallography 2017-01-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
powder diffraction
density functional theory
citrate
rubidium
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989016020168

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http://scripts.iucr.org/cgi-bin/paper?S2056989016020168

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