Crystal structure of pentasodium hydrogen dicitrate from synchrotron X-ray powder diffraction data and DFT comparison
The crystal structure of pentasodium hydrogen dicitrate, Na5H(C6H5O7)2, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Each of the two independent citrate anions is joined into a dimer by very strong centrosymmetric O—H...
Main Authors: | Alagappa Rammohan, James A. Kaduk |
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Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2017-02-01
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Series: | Acta Crystallographica Section E: Crystallographic Communications |
Subjects: | |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989017001256 |
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