Information card for entry 4308126

Structure parameters

• Formula: Ca2 H18 O17 U
• Calculated formula: Ca2 O17 U
• SMILES: O=[U]123(OO1)(OO3)(=O)OO2.O.O.O.[Ca+2].O.O.O.O.O.[Ca+2].O
• Title of publication: Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes
• Authors of publication: Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3657 - 3662
• a: 9.576 ± 0.003 Å
• b: 12.172 ± 0.003 Å
• c: 12.314 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1435.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.46
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No