Information card for entry 4105382

Structure parameters

• Chemical name: 'Potassium uranyl peroxide oxalate hydrate
• Formula: C8 K6 O26 U2
• Calculated formula: C8 K6 O26 U2
• SMILES: [U]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)(=O)([O]1[U]24(=O)(OC(=O)C(=O)O4)(OC(=O)C(=O)O2)([O]31)=O)=O.O.O.O.O.[K+].[K+].[K+].[K+].[K+].[K+]
• 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: 17.312 ± 0.003 Å
• b: 12.0841 ± 0.0018 Å
• c: 13.904 ± 0.002 Å
• α: 90°
• β: 111.917 ± 0.002°
• γ: 90°
• Cell volume: 2698.5 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No