Information card for entry 4106050

Structure parameters

• Formula: C30 H31 F3 O6 P2 S3 U
• Calculated formula: C30 H31 F3 O6 P2 S3 U
• SMILES: [U]12([S]=P(C2P(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(=O)(=O)(OS(=O)(=O)C(F)(F)F)[O](CC)CC
• Title of publication: Exploring the Uranyl Organometallic Chemistry: From Single to Double Uranium-Carbon Bonds
• Authors of publication: Jean-Christophe Tourneux; Jean-Claude Berthet; Thibault Cantat; Pierre Thuéry; Nicolas Mézailles; Michel Ephritikhine
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6162 - 6165
• a: 11.1599 ± 0.0013 Å
• b: 11.8226 ± 0.0016 Å
• c: 13.738 ± 0.002 Å
• α: 94.584 ± 0.006°
• β: 99.776 ± 0.007°
• γ: 107.912 ± 0.007°
• Cell volume: 1682.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No