Information card for entry 4340987

Structure parameters

• Formula: C42 H58 I2 N4 U
• Calculated formula: C42 H58 I2 N4 U
• SMILES: [U]1(I)(I)(=Nc2c(cccc2C(C)C)C(C)C)(=Nc2c(cccc2C(C)C)C(C)C)[n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C
• Title of publication: Preparation and reactivity of the versatile uranium(IV) imido complexes U(NAr)Cl₂(R₂bpy)₂ (R = Me, (t)Bu) and U(NAr)Cl₂(tppo)₃.
• Authors of publication: Jilek, Robert E.; Tomson, Neil C.; Shook, Ryan L.; Scott, Brian L.; Boncella, James M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9818 - 9826
• a: 12.0604 ± 0.001 Å
• b: 18.0515 ± 0.0015 Å
• c: 20.1412 ± 0.0016 Å
• α: 90°
• β: 94.73 ± 0.001°
• γ: 90°
• Cell volume: 4370 ± 0.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No