Information card for entry 7708505

Structure parameters

• Common name: uranyldichloride bis(triphenylphosphine oxide)
• Chemical name: uraniumdioxodicholoro bis(triphenylphosphine oxide)
• Formula: C36 H30 Cl2 O4 P2 U
• Calculated formula: C36 H30 Cl2 O4 P2 U
• SMILES: [U](Cl)(Cl)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(=O)=O
• Title of publication: Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex
• Authors of publication: Windorff, Cory James; Beltrán Leiva, María Joaquina; Albrecht-Schmitt, Thomas E.; Bai, Zhuanling; Celis-Barros, Cristian; Goodwin, Conrad Alexander Phillip; Huffman, Zachary; McKinnon, Noah C.; Sperling, Joseph M.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.0387 ± 0.0006 Å
• b: 18.654 ± 0.0011 Å
• c: 10.7043 ± 0.0006 Å
• α: 90°
• β: 117.802 ± 0.002°
• γ: 90°
• Cell volume: 1773.12 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No