Information card for entry 4106758

Structure parameters

• Formula: C42 H124 N6 O2 Si14 U2
• Calculated formula: C42 H124 N6 O2 Si14 U2
• 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: 30.5707 ± 0.0012 Å
• b: 17.3732 ± 0.0007 Å
• c: 21.5107 ± 0.0008 Å
• α: 90°
• β: 95.226 ± 0.003°
• γ: 90°
• Cell volume: 11377.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No