Information card for entry 4340984

Structure parameters

• Formula: C94 H90 Cl12 N2 O4 P4 U2
• Calculated formula: C90 H82 Cl4 N2 O4 P4 U2
• SMILES: [U]1(N(c2c(cc(cc2C)C)C)[U](N1c1c(cc(cc1C)C)C)(Cl)(Cl)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.633 ± 0.004 Å
• b: 14.664 ± 0.004 Å
• c: 26.722 ± 0.007 Å
• α: 104.44 ± 0.003°
• β: 90.909 ± 0.003°
• γ: 112.38 ± 0.003°
• Cell volume: 4747 ± 2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.1106
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No