Information card for entry 4110948

Structure parameters

• Formula: C43 H46 I2 N O3 P2 U
• Calculated formula: C40 H39 I2 N O3 P2 U
• SMILES: [U](I)(I)(=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)=NC(C)(C)C
• 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: 10.4687 ± 0.001 Å
• b: 19.2378 ± 0.0019 Å
• c: 21.236 ± 0.002 Å
• α: 93.174 ± 0.002°
• β: 95.153 ± 0.002°
• γ: 93.134 ± 0.002°
• Cell volume: 4245.3 ± 0.7 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No