Information card for entry 4304302

Structure parameters

• Formula: C2 H2 K4 O11 U
• Calculated formula: C2 K4 O11 U
• SMILES: [U]123(=O)(=O)(OC(=O)O1)(OC(O2)=O)OO3.[K+].[K+].[K+].[K+].O
• Title of publication: First Identification and Thermodynamic Characterization of the Ternary U(VI) Species, UO2(O2)(CO3)24-, in UO2-H2O2-K2CO3 Solutions
• Authors of publication: George S. Goff; Lia F. Brodnax; Michael R. Cisneros; Shane M. Peper; Stephanie E. Field; Brian L. Scott; Wolfgang H. Runde
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1984 - 1990
• a: 6.967 ± 0.0014 Å
• b: 9.2158 ± 0.0018 Å
• c: 18.052 ± 0.004 Å
• α: 90°
• β: 91.511 ± 0.003°
• γ: 90°
• Cell volume: 1158.7 ± 0.4 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No