Information card for entry 7717020

Structure parameters

• Formula: C52.45 H53.8 Au Cl F6 P3 S0.85
• Calculated formula: C52.45 H53.8 Au Cl F6 P3 S0.85
• Title of publication: Post-metallation functionalization of the [(C^C)Au(P^P)]+ scaffold through a hydrothiolation reaction
• Authors of publication: Yang, Jeannine; Soep, Clément; Forté, Jérémy; Dossmann, Heloise; Bertrand, Benoît
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 20.5099 ± 0.0007 Å
• b: 18.1939 ± 0.0007 Å
• c: 14.1942 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5296.6 ± 0.4 ų
• Cell temperature: 200.01 K
• Ambient diffraction temperature: 200.01 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No