Information card for entry 1516266

Structure parameters

• Formula: C76 H59 B F15 O7 Si U
• Calculated formula: C76 H59 B F15 O7 Si U
• SMILES: CCCCCC.[U]12([O]=C(C=C(O1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[O]1CCCC1
• Title of publication: Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage
• Authors of publication: Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 3204
• a: 13.6767 ± 0.0004 Å
• b: 15.7946 ± 0.0004 Å
• c: 16.3191 ± 0.0004 Å
• α: 102.448 ± 0.002°
• β: 93.042 ± 0.002°
• γ: 96.154 ± 0.002°
• Cell volume: 3411.96 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.033
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No