Information card for entry 1561818

Structure parameters

• Formula: C4 H16 N2 O28.23 Se5.41 U3
• Calculated formula: C4 H16 N2 O28.224 Se5.408 U3
• 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: 8.3116 ± 0.0004 Å
• b: 18.6363 ± 0.0008 Å
• c: 11.5623 ± 0.0005 Å
• α: 90°
• β: 97.582 ± 0.001°
• γ: 90°
• Cell volume: 1775.31 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes