Information card for entry 4341674

Structure parameters

• Formula: C67 H52 F3 O9 S Si2 U
• Calculated formula: C67 H52 F3 O9 S Si2 U
• SMILES: [U]12(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)(O[Si](c3ccccc3)(c3ccccc3)c3ccccc3)([O]=C(C=C(O2)c2ccccc2)c2ccccc2)([O]=C(C=C(O1)c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F
• Title of publication: Reductive Silylation of the Uranyl Ion with Ph3SiOTf
• Authors of publication: Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141111154001001
• a: 12.507 ± 0.002 Å
• b: 19.719 ± 0.003 Å
• c: 23.422 ± 0.004 Å
• α: 90°
• β: 89.692 ± 0.003°
• γ: 90°
• Cell volume: 5776.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No