Information card for entry 4304380

Structure parameters

• Formula: H38 N9 Na3 O44 S10 U2
• Calculated formula: H28 N9 Na3 O44 S10 U2
• SMILES: [NH4+].[NH4+].[NH4+].[Na+].[Na+].[Na+].[NH4+].[NH4+].O1[U]23(OS(O2)(=O)=O)(OS(O3)(=O)=O)(OS(=O)(=O)[O-])(OS1(=O)=O)(OS(=O)(=O)[O-])[OH2].O.[NH4+].[NH4+].[NH4+].[NH4+].O1S(=O)(O[U]231(OS(=O)(=O)O2)(OS(=O)(O3)=O)(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])[OH2])=O.O
• Title of publication: Coordination of a Uranium(IV) Sulfate Monomer in an Aqueous Solution and in the Solid State
• Authors of publication: Christoph Hennig; Werner Kraus; Franziska Emmerling; Atsushi Ikeda; Andreas C. Scheinost
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1634 - 1638
• a: 9.4995 ± 0.0016 Å
• b: 9.8903 ± 0.0016 Å
• c: 12.744 ± 0.002 Å
• α: 93.669 ± 0.002°
• β: 103.846 ± 0.002°
• γ: 109.339 ± 0.002°
• Cell volume: 1083.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No