Information card for entry 4106089

Structure parameters

• Formula: C37 H68 N3 P Si6 U
• Calculated formula: C37 H68 N3 P Si6 U
• SMILES: c1c(P(=[CH2][U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(c2ccccc2)c2ccccc2)cccc1
• Title of publication: Synthesis of a Phosphorano-Stabilized U(IV)-Carbene via One-Electron Oxidation of a U(III)-Ylide Adduct
• Authors of publication: Skye Fortier; Justin R. Walensky; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6894 - 6897
• a: 12.7155 ± 0.0015 Å
• b: 16.2674 ± 0.0018 Å
• c: 23.822 ± 0.003 Å
• α: 90°
• β: 96.242 ± 0.002°
• γ: 90°
• Cell volume: 4898.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No