Information card for entry 1561814

Structure parameters

• Formula: C4 H18 N2 O11 Se2 U
• Calculated formula: C4 H18 N2 O11 Se2 U
• 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: 7.5363 ± 0.0007 Å
• b: 12.2021 ± 0.0011 Å
• c: 16.7601 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541.2 ± 0.2 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes