Information card for entry 4106756

Structure parameters

• Formula: C37 H71 N3 O P Si6 U
• Calculated formula: C37 H71 N3 O P Si6 U
• SMILES: [U]1(C[Si](C)(C)N1[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=O.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Probing the Reactivity and Electronic Structure of a Uranium(V) Terminal Oxo Complex
• Authors of publication: Skye Fortier; Nikolas Kaltsoyannis; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14224 - 14227
• a: 20.789 ± 0.0006 Å
• b: 11.761 ± 0.0004 Å
• c: 19.9035 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4866.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No