Information card for entry 2019604

Structure parameters

• Chemical name: <i>catena</i>-Poly[[pentaaquauranium(IV)]-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]
• Formula: H12 O14 S2 U
• Calculated formula: H12 O14 S2 U
• SMILES: [U]1([OH2])([OH2])([OH2])([OH2])([OH2])OS(=O)(=O)O[U]([OH2])([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)O1)(OS(=O)(=O)[O-])OS(=O)(=O)[O-].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: 7.519 ± 0.0002 Å
• b: 13.2464 ± 0.0003 Å
• c: 11.5073 ± 0.0004 Å
• α: 90°
• β: 104.388 ± 0.001°
• γ: 90°
• Cell volume: 1110.18 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0108
• Residual factor for significantly intense reflections: 0.0108
• Weighted residual factors for significantly intense reflections: 0.0284
• Weighted residual factors for all reflections included in the refinement: 0.0284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.313
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes