Information card for entry 4107413

Structure parameters

• Formula: C37 H61 Cl2 Li N2 O4 U
• Calculated formula: C37 H41 Cl2 Li N2 O4 U
• SMILES: CC[O]([Li]1([Cl][U]2([Cl]1)(=O)(N(c1c(cccc1C(C)C)C(C)C)C(=CC(=[N]2c1c(C(C)C)cccc1C(C)C)C)C)=O)[O](CC)CC)CC
• Title of publication: Synthesis, Characterization, and Reactivity of a Uranyl β-Diketiminate Complex
• Authors of publication: Trevor W. Hayton; Guang Wu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2005 - 2014
• a: 17.775 ± 0.004 Å
• b: 12.932 ± 0.003 Å
• c: 19.438 ± 0.005 Å
• α: 90°
• β: 112.366 ± 0.004°
• γ: 90°
• Cell volume: 4132 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No