Information card for entry 7130938

Structure parameters

• Formula: C60 H120 N16 P4 S2.66 U
• Calculated formula: C60 H120 N16 P4 S2.67 U
• Title of publication: Elemental Chalcogen Reactions of a Tetravalent Uranium Imidophosphorane Complex: Cleavage of Dioxygen
• Authors of publication: Aguirre Quintana, Luis M.; Rajeshkumar, Thayalan; Jiang, Ningxin; Niklas, Julie; Bacsa, John; Maron, Laurent; La Pierre, Henry Storms
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 14.4586 ± 0.0009 Å
• b: 27.1124 ± 0.0013 Å
• c: 22.5764 ± 0.0012 Å
• α: 90°
• β: 96.244 ± 0.002°
• γ: 90°
• Cell volume: 8797.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No