Information card for entry 4107412

Structure parameters

• Formula: C58 H82 Cl2 N4 O4 U2
• Calculated formula: C58 H82 Cl2 N4 O4 U2
• SMILES: [U]12([Cl][U]3([Cl]1)(=O)([N](c1c(C(C)C)cccc1C(C)C)=C(C)C=C(N3c1c(C(C)C)cccc1C(C)C)C)=O)([N](c1c(cccc1C(C)C)C(C)C)=C(C=C(N2c1c(cccc1C(C)C)C(C)C)C)C)(=O)=O
• 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: 17.803 ± 0.003 Å
• b: 14.124 ± 0.002 Å
• c: 24.465 ± 0.004 Å
• α: 90°
• β: 104.57 ± 0.003°
• γ: 90°
• Cell volume: 5953.9 ± 1.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.1216
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No