Information card for entry 4105383

Structure parameters

• Chemical name: Sodium uranyl peroxide oxalate hydrate
• Formula: C12 Na12 O77 U6
• Calculated formula: C12 Na12 O77 U6
• SMILES: C1(O[U]234(=O)([O]5[O]2[U]265(=O)(=O)([O]5[U]78(=O)([O]9[U]%10%11(=O)([O]79)(=O)([O]7[U]9%12(=O)(=O)([O]%107)([O]7[U]%10%13(=O)(=O)([O]3[O]4%10)([O]97)OC(=O)C(=O)O%13)OC(=O)C(=O)O%12)OC(C(O%11)=O)=O)(=O)([O]25)OC(=O)C(=O)O8)OC(=O)C(=O)O6)(=O)OC1=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].[Na+].[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Uranyl-Peroxide Interactions Favor Nanocluster Self-Assembly
• Authors of publication: Ginger E. Sigmon; Jie Ling; Daniel K. Unruh; Laura Moore-Shay; Matthew Ward; Brittany Weaver; Peter C. Burns
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16648 - 16649
• a: 18.625 ± 0.003 Å
• b: 26.652 ± 0.004 Å
• c: 15.66 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7774 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No