Information card for entry 4104741

Structure parameters

• Formula: C50.42 H82.28 Cl1.58 Li N2 O8.43 U
• Calculated formula: C50.43 H82.29 Cl1.57 Li N2 O8.43 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: 11.302 ± 0.003 Å
• b: 12.323 ± 0.003 Å
• c: 20.387 ± 0.005 Å
• α: 96.782 ± 0.004°
• β: 92.6 ± 0.005°
• γ: 94.776 ± 0.005°
• Cell volume: 2805.4 ± 1.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.0973
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No