Information card for entry 4117672

Structure parameters

• Chemical name: U(VI) Ph Ket
• Formula: C73 H92 N6 U
• Calculated formula: C74 H94 N6 U
• SMILES: C(C(C)(C)C)(c1ccccc1)=N[U](N=C(C(C)(C)C)c1ccccc1)(N=C(C(C)(C)C)c1ccccc1)(N=C(C(C)(C)C)c1ccccc1)(N=C(c1ccccc1)C(C)(C)C)N=C(C(C)(C)C)c1ccccc1.Cc1ccc(C)cc1
• Title of publication: Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex
• Authors of publication: Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4931 - 4940
• a: 14.2791 ± 0.0016 Å
• b: 11.9428 ± 0.0014 Å
• c: 19.064 ± 0.002 Å
• α: 90°
• β: 92.216 ± 0.002°
• γ: 90°
• Cell volume: 3248.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No