Information card for entry 4104738

Structure parameters

• Formula: C46 H70 Cl2 Li N2 O3 U
• Calculated formula: C46 H70 Cl2 Li N2 O3 U
• Title of publication: Reduced Uranium Complexes: Synthetic and DFT Study of the Role of π Ligation in the Stabilization of Uranium Species in a Formal Low-Valent State
• Authors of publication: Ilia Korobkov; Serge Gorelsky; Sandro Gambarotta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10406 - 10420
• a: 12.078 ± 0.003 Å
• b: 12.843 ± 0.004 Å
• c: 18.629 ± 0.005 Å
• α: 74.947 ± 0.004°
• β: 89.875 ± 0.005°
• γ: 62.15 ± 0.004°
• Cell volume: 2443.2 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No