Information card for entry 4305840

Structure parameters

• Chemical name: (bis(diisopropylphenyl)pentane-2,4-di-iminato)dioxo uranium(dibenzoylmethanate)
• Formula: C50 H66 N2 O4 U
• Calculated formula: C50 H66 N2 O4 U
• SMILES: [U]12(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([N](=C(C=C(N2c1c(C(C)C)cccc1C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(=O)=O.C(C)CCCC
• Title of publication: Mixed-Ligand Uranyl(V) β-Diketiminate/β-Diketonate Complexes: Synthesis and Characterization
• Authors of publication: Trevor W. Hayton; Guang Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7415 - 7423
• a: 10.8812 ± 0.001 Å
• b: 22.638 ± 0.002 Å
• c: 18.8387 ± 0.0017 Å
• α: 90°
• β: 91.09 ± 0.002°
• γ: 90°
• Cell volume: 4639.7 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No