Information card for entry 4516471

Structure parameters

• Formula: C8 N6 O24 U2
• Calculated formula: C8 N6 O24 U2
• SMILES: [U]123(=O)(=O)(OC(=O)C(O1)=O)(OC(=O)C(O2)=O)[O]1[U]24(=O)(=O)([O]31)(OC(=O)C(=O)O2)OC(=O)C(=O)O4.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O.O
• Title of publication: Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates
• Authors of publication: Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 200
• a: 8.0403 ± 0.0011 Å
• b: 13.565 ± 0.002 Å
• c: 14.163 ± 0.002 Å
• α: 109.825 ± 0.007°
• β: 105.333 ± 0.007°
• γ: 102.263 ± 0.007°
• Cell volume: 1321.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No