Information card for entry 4303888

Structure parameters

• Chemical name: Uranyl(V) Ar2nacnac TMEDA
• Formula: C35 H57 N4 O2 U
• Calculated formula: C35 H57 N4 O2 U
• SMILES: [U]12([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([N](CC[N]2(C)C)(C)C)(=O)=O
• 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: 11.126 ± 0.002 Å
• b: 15.594 ± 0.003 Å
• c: 20.956 ± 0.004 Å
• α: 90°
• β: 90.011 ± 0.003°
• γ: 90°
• Cell volume: 3635.8 ± 1.2 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: 0.1264
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No