Information card for entry 4337002

Structure parameters

• Formula: C8 H24 Cl4 N2 O2 Pu
• Calculated formula: C8 H24 Cl4 N2 O2 Pu
• SMILES: [N+](C)(C)(C)C.Cl[Pu](=O)(=O)(Cl)(Cl)Cl.C[N+](C)(C)C
• 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: 9.0962 ± 0.0013 Å
• b: 9.0962 ± 0.0013 Å
• c: 11.4129 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 944.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No