Information card for entry 4301826

Structure parameters

• Chemical name: Lithium bis(tert-butanol) Uranium(V) hexakis(pentafluorophenoxide)
• Formula: C44 H20 F30 Li O8 U
• Calculated formula: C44 H18 F30 Li O8 U
• SMILES: [U]1(Oc2c(F)c(F)c(F)c(F)c2F)([O](c2c(F)c(F)c(F)c(F)c2F)[Li]([O]1c1c(F)c(F)c(F)c(F)c1F)([OH]C(C)(C)C)[OH]C(C)(C)C)(Oc1c(F)c(F)c(F)c(F)c1F)(Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(c(c1F)F)F
• Title of publication: Synthesis and Redox Chemistry of High-Valent Uranium Aryloxides
• Authors of publication: Skye Fortier; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3000 - 3011
• a: 11.0061 ± 0.0017 Å
• b: 11.9492 ± 0.0018 Å
• c: 20.903 ± 0.003 Å
• α: 94.746 ± 0.002°
• β: 90.733 ± 0.002°
• γ: 114.593 ± 0.002°
• Cell volume: 2487.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0873
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No