Information card for entry 4340985

Structure parameters

• Formula: C72 H67 Cl N O3 P3 S U
• Calculated formula: C72 H67 Cl N O3 P3 S U
• SMILES: [U](Cl)(=Nc1c(cccc1C(C)C)C(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)Sc1ccccc1
• 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: 14.639 ± 0.002 Å
• b: 16.519 ± 0.002 Å
• c: 26.096 ± 0.004 Å
• α: 90°
• β: 92.194 ± 0.002°
• γ: 90°
• Cell volume: 6306 ± 1.5 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 8
• 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: 0.1472
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No