Information card for entry 4303889

Structure parameters

• Chemical name: Uranyl(V) Ar2nacnac Bis-1-Methylimidazole
• Formula: C44 H61 N6 O2 U
• Calculated formula: C44 H61 N6 O2 U
• SMILES: c1ccc(cc1)C.[U]1(=O)(=O)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccn(c1)C)[n]1cn(cc1)C
• Title of publication: Coordination of N-Donor Ligands to a Uranyl(V) β-Diketiminate Complex
• Authors of publication: Michael F. Schettini; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11799 - 11808
• a: 9.0558 ± 0.0015 Å
• b: 26.743 ± 0.005 Å
• c: 17.536 ± 0.003 Å
• α: 90°
• β: 99.541 ± 0.005°
• γ: 90°
• Cell volume: 4188.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1732
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No