Information card for entry 2019605

Structure parameters

• Chemical name: Hexaaquabis(sulfato-κ^2^<i>O</i>,<i>O</i>')uranium(IV) dihydrate
• Formula: H16 O16 S2 U
• Calculated formula: H16 O16 S2 U
• SMILES: O1S(=O)(=O)O[U]21(OS(=O)(=O)O2)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: The effect of coordinated water on the connectivity of uranium(IV) sulfate <i>x</i>-hydrate: [U(SO~4~)~2~(H~2~O)~5~]·H~2~O and [U(SO~4~)~2~(H~2~O)~6~]·2H~2~O, and a comparison with other known structures
• Authors of publication: Burns, Alexander D.; Patrick, Brian O.; Lam, Anita E.; Dreisinger, David
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 726 - 731
• a: 8.4071 ± 0.0003 Å
• b: 11.7144 ± 0.0004 Å
• c: 13.2659 ± 0.0004 Å
• α: 90°
• β: 92.51 ± 0.001°
• γ: 90°
• Cell volume: 1305.23 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes