Information card for entry 4518939

Structure parameters

• Common name: Carboxylate Dimer
• Formula: C71 H99 Au2 F8 O2 P2 Sb
• Calculated formula: C71 H99 Au2 F8 O2 P2 Sb
• SMILES: [Au]([O]=C(O[Au][P](c1ccccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C)c1c(F)cccc1F)[P](c1ccccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C.[Sb](F)(F)(F)(F)(F)[F-].c1ccccc1
• 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: 15.8193 ± 0.0009 Å
• b: 16.1233 ± 0.0009 Å
• c: 28.3586 ± 0.0015 Å
• α: 90°
• β: 103.52 ± 0.002°
• γ: 90°
• Cell volume: 7032.7 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0783
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No