Information card for entry 4314829

Structure parameters

• Formula: C30 H50 N2 O2 U
• Calculated formula: C30 H50 N2 O2 U
• SMILES: [U]123456789([N](=C(N1C(C)C)C)C(C)C)(OC(=O)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Reaction Chemistry of the U3+ Metallocene Amidinate (C5Me5)2[iPrNC(Me)NiPr]U Including the Isolation of a Uranium Complex of a Monodentate Acetate
• Authors of publication: William J. Evans; Justin R. Walensky; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1743 - 1749
• a: 9.5795 ± 0.0006 Å
• b: 17.4341 ± 0.0011 Å
• c: 17.852 ± 0.0011 Å
• α: 90°
• β: 101.438 ± 0.001°
• γ: 90°
• Cell volume: 2922.2 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No