Information card for entry 4108554

Structure parameters

• Formula: C20 H18 Au F10 N S2
• Calculated formula: C20 H18 Au F10 N S2
• SMILES: [Au](Sc1c(c(F)c(c(F)c1F)F)F)Sc1c(F)c(F)c(c(c1F)F)F.[N+](CC)(CC)(CC)CC
• Title of publication: Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism
• Authors of publication: Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14303 - 14310
• a: 13.7387 ± 0.0017 Å
• b: 9.9116 ± 0.0012 Å
• c: 17.808 ± 0.002 Å
• α: 90°
• β: 104.81 ± 0.002°
• γ: 90°
• Cell volume: 2344.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.067
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No