Information card for entry 4103801

Structure parameters

• Formula: C83 H80 Li2 O2 P6 S6 U
• Calculated formula: C83 H80 Li2 O2 P6 S6 U
• SMILES: [U]123456(C(=P(c7ccccc7)(c7ccccc7)[S]1[Li]18[O](CC)CC)P(=[S]29)(c2ccccc2)c2ccccc2)(C(=P([S]4[Li]29[O](CC)CC)(c4ccccc4)c4ccccc4)P(=[S]51)(c1ccccc1)c1ccccc1)C(=P(c1ccccc1)(c1ccccc1)[S]38)P(=[S]62)(c1ccccc1)c1ccccc1
• Title of publication: The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes
• Authors of publication: Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 963 - 972
• a: 16.2135 ± 0.0003 Å
• b: 22.3247 ± 0.0004 Å
• c: 21.3662 ± 0.0006 Å
• α: 90°
• β: 91.524 ± 0.001°
• γ: 90°
• Cell volume: 7731 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No