Information card for entry 4301829

Structure parameters

• Chemical name: Lithium 1,2-dimethoxyethane Uranium(IV) hexakis(pentafluorophenoxide)
• Formula: C60 H60 F30 Li2 O18 U
• Calculated formula: C60 H60 F30 Li2 O18 U
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)O[U](Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)(Oc1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 15.738 ± 0.002 Å
• b: 15.738 ± 0.002 Å
• c: 25.227 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5411.2 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No