Information card for entry 1516269

Structure parameters

• Formula: C73 H48 B F15 O7 U
• Calculated formula: C73 H48 B F15 O7 U
• SMILES: [B]1(c2c(c(c(c(c2F)F)F)F)F)(c2c(c(c(c(c2[F][U]234(O1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)([O]=C(C=C(c1ccccc1)O3)c1ccccc1)[O]=C(C=C(c1ccccc1)O4)c1ccccc1)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.CCCCCC.c1cccc(c1)C
• 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: 15.1204 ± 0.0004 Å
• b: 16.1764 ± 0.0005 Å
• c: 16.4479 ± 0.0005 Å
• α: 112.966 ± 0.002°
• β: 96.391 ± 0.002°
• γ: 115.286 ± 0.002°
• Cell volume: 3157 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No