Information card for entry 4301731

Structure parameters

• Formula: C50 H66 N4 O3 S2 U
• Calculated formula: C38 H52 N4 S2 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: 11.524 ± 0.004 Å
• b: 13.55 ± 0.005 Å
• c: 18.117 ± 0.007 Å
• α: 96.227 ± 0.005°
• β: 105.302 ± 0.005°
• γ: 107.456 ± 0.003°
• Cell volume: 2548.3 ± 1.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No