Crystal structure of dirubidium hydrogen citrate from laboratory X-ray powder diffraction data and DFT comparison
2017 ◽
Vol 73
(1)
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pp. 92-95
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Keyword(s):
X Ray
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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) along thebaxis. The hydroxy group participates in a chain of intra- and intermolecular hydrogen bonds along thecaxis. These hydrogen bonds result in corrugated hydrogen-bonded layers in thebcplane. The Rb+cations are six-coordinate, and share edges and corners to form layers in theabplane. The interlayer contacts are composed of the hydrophobic methylene groups.
2017 ◽
Vol 73
(2)
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pp. 250-253
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Keyword(s):
2017 ◽
Vol 73
(2)
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pp. 286-290
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2017 ◽
Vol 73
(2)
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pp. 133-136
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