Information card for entry 4118065

Structure parameters

• Formula: C121 H147 Cl N6 O6 P6 Si6 U3
• Calculated formula: C121 H147 Cl N6 O6 P6 Si6 U3
• Title of publication: Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds
• Authors of publication: David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10047 - 10054
• a: 15.255 ± 0.0008 Å
• b: 28.8625 ± 0.0015 Å
• c: 29.2694 ± 0.0015 Å
• α: 90°
• β: 104.515 ± 0.001°
• γ: 90°
• Cell volume: 12475.9 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No