Information card for entry 1517954

Structure parameters

• Formula: C16 H31 Cs O14 U2
• Calculated formula: C16 H31 Cs O14 U2
• Title of publication: Electronic Structure of Cesium Butyratouranylate(VI) as Derived from DFT-assisted Powder X-ray Diffraction Data.
• Authors of publication: Vologzhanina, Anna V.; Savchenkov, Anton V.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Bushmarinov, Ivan S.; Pushkin, Denis V.; Serezhkina, Larisa B.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 41
• Pages of publication: 9745 - 9752
• a: 15.2874 ± 0.0013 Å
• b: 21.91635 ± 0.00083 Å
• c: 8.41473 ± 0.00032 Å
• α: 90°
• β: 88.9643 ± 0.0069°
• γ: 90°
• Cell volume: 2818.8 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 0.015
• Goodness-of-fit parameter for all reflections: 2.734
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No