Information card for entry 4110947

Structure parameters

• Formula: C20 H31 I2 N3 O2 U
• Calculated formula: C20 H31 I2 N3 O2 U
• SMILES: [U](I)(I)(=NC(C)(C)C)([NH2]c1ccccc1)([NH2]c1ccccc1)(=O)[O]1CCCC1
• Title of publication: Exchange of an Imido Ligand in Bis(imido) Complexes of Uranium
• Authors of publication: Trevor W. Hayton; James M. Boncella; Brian L. Scott; Enrique R. Batista
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12622 - 12623
• a: 10.2898 ± 0.0015 Å
• b: 11.3121 ± 0.0016 Å
• c: 21.958 ± 0.003 Å
• α: 90°
• β: 98.998 ± 0.002°
• γ: 90°
• Cell volume: 2524.4 ± 0.6 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 6
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No