Information card for entry 2216598

Structure parameters

• Common name: Bis(methanesulfonato)dioxouranium(VI) monohydrate
• Chemical name: catena-poly[[aquadioxidouranium(VI)]bis(μ-methanesulfonato-κ^2^O:O')]
• Formula: C2 H8 O9 S2 U
• Calculated formula: C2 H8 O9 S2 U
• SMILES: [U]1(OS(=[O][U](OS(=[O]1)(=O)C)(=O)(=O)[OH2])(=O)C)(OS(=O)(=O)C)(OS(=O)(=O)C)(=O)(=O)[OH2]
• Title of publication: A second polymorph of <i>catena</i>-poly[[aquadioxidouranium(VI)]bis(μ-methanesulfonato-κ^2^<i>O</i>:<i>O</i>')]
• Authors of publication: Andreev, Grigory B.; Budantseva, Nina A.; Tananaev, Ivan G.; Myasoedov, Boris F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3159 - m3159
• a: 11.2613 ± 0.0004 Å
• b: 7.9178 ± 0.0003 Å
• c: 10.9061 ± 0.0004 Å
• α: 90°
• β: 99.261 ± 0.001°
• γ: 90°
• Cell volume: 959.76 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes