Information card for entry 4303797

Structure parameters

• Chemical name: Cesium sodium uranyl peroxide hydroxide
• Formula: Cs6.82 Na18 O212 U26
• Calculated formula: Cs6.826 Na18 O212 U26
• SMILES: [U]12345(O[U]678(O1)([O]1[O]8[U]891([O]1[U]%10%11%12(O[U]%13%14(O%10)(=O)([O]%10[U]%15%16([O]%13%10)(=O)(OO%15)(=O)[O]%10[U]%13%15%17(O[U]%18%19([O]%20[U]%21%22([O]%18%20)(=O)([O]%18[U]%20%23%24(O[U]%25%26(O%20)([O]%20[U]%27%28([O]%29[U]%30%31%32([O]%33[U]%34%35([O]%36[U]%37%38(O[U]%39%40(O%37)([O]%37[U]%41%42([O]6[O]7%41)([O]%39%37)(=O)(OO%42)=O)([O]6[O]%40[U]7%376([O]6[U]%39(O%31)(O%32)(=O)(=O)([O]%31[U]%32%40([O]%23[O]%24%32)(OO%40)(=O)(=O)[O]%39%31)[O]76)(=O)(OO%37)=O)(=O)=O)([O]6[U]7%23([O]%386)(=O)([O]3[O]47)(=O)OO%23)(=O)(=O)[O]%34%36)(OO%35)([O]%30%33)(=O)=O)(=O)([O]%27%29)=O)(=O)(=O)(OO%28)[O]%26%20)([O]3[U]46([O]%15[O]%174)(=O)([O]%253)(OO6)=O)(=O)=O)(=O)(=O)[O]%21%18)(=O)OO%22)(O%13)(=O)([O]3[U]46([O]%11[O]%124)(OO6)([O]%193)(=O)=O)=O)(=O)(=O)[O]%16%10)(=O)[O]3[U]46([O]2[O]54)(OO6)(=O)(=O)[O]%143)(=O)([O]81)=O)(=O)(=O)OO9)(=O)=O)(=O)=O.[U]12(OO1)(=O)(=O)([OH2])O[U]1(OO1)(=O)(=O)([OH2])O2.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.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: 20.369 ± 0.006 Å
• b: 19.76 ± 0.006 Å
• c: 32.864 ± 0.007 Å
• α: 90°
• β: 124.978 ± 0.013°
• γ: 90°
• Cell volume: 10838 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.167
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No