Information card for entry 1561817

Structure parameters

• Formula: C6 H39 N3 O43 Se6 U4
• Calculated formula: C6 H39 N3 O43 Se6 U4
• Title of publication: Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates
• Authors of publication: Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 229
• Pages of publication: 32 - 40
• a: 12.451 ± 0.005 Å
• b: 31.126 ± 0.005 Å
• c: 14.197 ± 0.004 Å
• α: 90°
• β: 120.39 ± 0.02°
• γ: 90°
• Cell volume: 4746 ± 3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes