Information card for entry 4301728

Structure parameters

• Formula: C56 H58 I0 N2 O2 P2 S2 U
• Calculated formula: C53.948 H56.29 I0.342 N2 O2 P2 S1.658 U
• Title of publication: Uranium(VI) Bis(imido) Chalcogenate Complexes: Synthesis and Density Functional Theory Analysis
• Authors of publication: Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2693 - 2700
• a: 11.7262 ± 0.0012 Å
• b: 17.0357 ± 0.0017 Å
• c: 13.2805 ± 0.0013 Å
• α: 90°
• β: 103.906 ± 0.001°
• γ: 90°
• Cell volume: 2575.2 ± 0.4 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 8
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.344
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No