Information card for entry 4518940

Structure parameters

• Chemical name: Au Carboxylate - SbF6
• Formula: C42 H50 Au Cl2 F8 N O2 P Sb
• Calculated formula: C42 H50 Au Cl2 F8 N O2 P Sb
• SMILES: [N]1([Au](c2ccccc2)(OC(=O)c2c(F)cccc2F)[P](C23CC4CC(C3)CC(C4)C2)(C23CC4CC(C2)CC(C3)C4)c2ccccc12)(C)C.[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes
• Authors of publication: Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 9578 - 9587
• a: 11.0822 ± 0.0008 Å
• b: 11.3847 ± 0.0009 Å
• c: 18.7298 ± 0.0013 Å
• α: 73.758 ± 0.003°
• β: 74.18 ± 0.003°
• γ: 89.153 ± 0.003°
• Cell volume: 2178 ± 0.3 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No