Information card for entry 4337001

Structure parameters

• Formula: Cl4 Cs2 O2 Pu
• Calculated formula: Cl4 Cs2 O2 Pu
• SMILES: Cl[Pu](=O)(=O)(Cl)(Cl)Cl.[Cs+].[Cs+]
• Title of publication: Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes
• Authors of publication: David D. Schnaars; Richard E. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14138 - 14147
• a: 11.785 ± 0.002 Å
• b: 7.6934 ± 0.0013 Å
• c: 5.7285 ± 0.001 Å
• α: 90°
• β: 97.856 ± 0.002°
• γ: 90°
• Cell volume: 514.51 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No