Information card for entry 7717022

Structure parameters

• Formula: C54.25 H56.5 Au Cl4.5 F6 P3 S
• Calculated formula: C54.25 H56.5 Au Cl4.5 F6 P3 S
• 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: 42.5037 ± 0.0014 Å
• b: 10.6374 ± 0.0003 Å
• c: 30.6654 ± 0.001 Å
• α: 90°
• β: 124.544 ± 0.002°
• γ: 90°
• Cell volume: 11420.2 ± 0.7 ų
• Cell temperature: 200.03 K
• Ambient diffraction temperature: 200.03 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: 0.0731
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No