Information card for entry 1516268

Structure parameters

• Formula: C54 H37 B F15 O6 Si U
• Calculated formula: C54 H37 B F15 O6 Si U
• SMILES: [U]123(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)(O[B](c1c(c(c(c(c1[F]3)F)F)F)F)(c1c(F)c(F)c(c(F)c1F)F)c1c(F)c(F)c(F)c(F)c1F)O[Si](CC)(CC)CC
• 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: 12.0721 ± 0.0006 Å
• b: 12.2867 ± 0.0007 Å
• c: 17.884 ± 0.0011 Å
• α: 89.672 ± 0.004°
• β: 80.12 ± 0.004°
• γ: 78.024 ± 0.004°
• Cell volume: 2555.2 ± 0.3 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No