Information card for entry 4303795

Structure parameters

• Chemical name: Cesium sodium uranyl peroxide hydroxide
• Formula: Cs4 Na8.88 O147 U17
• Calculated formula: Cs4 Na8.88 O147 U17
• SMILES: [U]1234(=O)([O]5[U]678(O[U]9%10%11(=O)([O]%12[U]%13%14(=O)([O]%15[U]%16%17(=O)([O]%18[U]%19%20(=O)([O]9[O]%10%19)(O[U]9%10([O]%19[U]%21(=O)([O]9%19)(=O)(OO%21)OO[U]9%19(=O)(OO%19)([O]%19[U]%21([O]%22[U]%23%24(=O)([O]%21%22)(=O)(OO%23)[O]%21[U]%22%23(=O)(OO%23)([O]%23[U]%25([O]%26[U]%27%28(=O)([O]%29[U]%30%31(=O)(OO%31)([O]7[O]8%30)(=O)[O]%28%29)([O]%25%26)(=O)OO%27)(O%13)(O%14)(=O)([O]%22%23)=O)([O]%24%21)=O)(O%16)(O%17)(=O)([O]9%19)=O)=O)(O%20)(=O)([O]7[U]89(=O)([O]3[O]48)(OO9)([O]%107)=O)=O)(O%18)=O)(O%15)=O)([O]%11%12)=O)(O6)=O)([O]15)(=O)=O)(=O)OO2.[U](=O)(=O)(=O)(=O)O.[Cs+].[Cs+].O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Cs+].[Cs+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Crown and Bowl-Shaped Clusters of Uranyl Polyhedra
• Authors of publication: Ginger E. Sigmon; Brittany Weaver; Karrie-Ann Kubatko; Peter C. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10907 - 10909
• a: 20.5468 ± 0.0014 Å
• b: 20.5468 ± 0.0014 Å
• c: 40.71 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17187 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No