Information card for entry 4303847

Structure parameters

• Formula: C57 H95 Cl4 I2 N8 U2
• Calculated formula: C52 H84 I2 N8 U2
• SMILES: [U]12(N(C(C)(C)C)[U]3(I)(N2C(C)(C)C)(=NC(C)(C)C)[n]2ccc(cc2c2[n]3ccc(c2)C(C)(C)C)C(C)(C)C)(I)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)=NC(C)(C)C
• Title of publication: Oxidative Addition to U(V)-U(V) Dimers: Facile Routes to Uranium(VI) Bis(imido) Complexes
• Authors of publication: Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11615 - 11623
• a: 12.891 ± 0.002 Å
• b: 13.031 ± 0.002 Å
• c: 20.734 ± 0.003 Å
• α: 80.377 ± 0.002°
• β: 76.684 ± 0.002°
• γ: 71.538 ± 0.002°
• Cell volume: 3198.1 ± 0.8 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No