Information card for entry 4081274

Structure parameters

• Formula: C37 H57 I2 N2 O2 U
• Calculated formula: C37 H57 I2 N2 O2 U
• SMILES: [U]1(I)(I)([O]2CCCC2)([O]2CCCC2)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: β-Diketiminate Derivatives of Alkali Metals and Uranium
• Authors of publication: Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5058
• a: 16.8923 ± 0.0017 Å
• b: 12.3039 ± 0.0013 Å
• c: 19.382 ± 0.002 Å
• α: 90°
• β: 96.889 ± 0.002°
• γ: 90°
• Cell volume: 3999.3 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No