Information card for entry 4103800

Structure parameters

• Formula: C33 H44 B2 O2 P2 S2 U
• Calculated formula: C33 H44 B2 O2 P2 S2 U
• 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: 14.6445 ± 0.0005 Å
• b: 13.368 ± 0.0004 Å
• c: 17.8089 ± 0.0006 Å
• α: 90°
• β: 92.438 ± 0.002°
• γ: 90°
• Cell volume: 3483.3 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No