Information card for entry 1501756

Structure parameters

• Formula: Cl4 Cs2 O2 U
• Calculated formula: Cl4 Cs2 O2 U
• SMILES: [U](=O)(=O)([Cl])([Cl])([Cl])[Cl].[Cs+].[Cs+]
• Title of publication: Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density.
• Authors of publication: Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 45
• Pages of publication: 13016 - 13023
• a: 11.7882 ± 0.0003 Å
• b: 7.6411 ± 0.0002 Å
• c: 5.7686 ± 0.0002 Å
• α: 90°
• β: 100.438 ± 0.003°
• γ: 90°
• Cell volume: 511.01 ± 0.03 ų
• Cell temperature: 20 ± 0.2 K
• Ambient diffraction temperature: 20 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.0072
• Weighted residual factors for all reflections included in the refinement: 0.0061
• RFsqd: 0.0082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No