Information card for entry 4514629

Structure parameters

• Formula: C32 H24 F12 O20 S4 U2
• Calculated formula: C32 H24 F12 O20 S4 U2
• SMILES: C(=[O][U]1(=O)([O]=S(O[U](=O)(=O)([O]=Cc2ccccc2)([O]=Cc2ccccc2)([O]=S(O1)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(=O)[O]=Cc1ccccc1)c1ccccc1
• Title of publication: Breaking C‒O Bonds with Uranium: Uranyl Complexes as Selective Catalysts in the Hydrosilylation of Aldehydes
• Authors of publication: Monsigny, Louis; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 9025
• a: 5.6883 ± 0.0004 Å
• b: 12.7612 ± 0.0011 Å
• c: 16.5764 ± 0.0015 Å
• α: 102.634 ± 0.004°
• β: 94.632 ± 0.005°
• γ: 96.374 ± 0.005°
• Cell volume: 1160.02 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No