Information card for entry 4340988

Structure parameters

• Common name: apx1390
• Formula: C36 H46 I2 N4 U
• Calculated formula: C36 H46 I2 N4 U
• SMILES: c1(c(cc(cc1C)C)C)N=[U]1(I)([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(I)=Nc1c(cc(cc1C)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: 21.198 ± 0.003 Å
• b: 11.8175 ± 0.0016 Å
• c: 17.977 ± 0.004 Å
• α: 90°
• β: 124.725 ± 0.001°
• γ: 90°
• Cell volume: 3701.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No