Information card for entry 4314832

Structure parameters

• Formula: C28 H42 N2 U
• Calculated formula: C28 H42 N2 U
• SMILES: [U]123456789%10%11%12%13([N](=C(N1C(C)C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)([cH]1[cH]6[cH]7[cH]8[cH]91)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131
• 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: 8.2845 ± 0.0004 Å
• b: 11.1001 ± 0.0006 Å
• c: 14.231 ± 0.0007 Å
• α: 81.993 ± 0.0005°
• β: 76.1897 ± 0.0005°
• γ: 81.9746 ± 0.0006°
• Cell volume: 1250.72 ± 0.11 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0171
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No