Information card for entry 4518941

Structure parameters

• Common name: RAD-7-203
• Chemical name: (tBuXPhosAu)2ISbF6
• Formula: C61 H93 Au2 Cl9 F6 I P2 Sb
• Calculated formula: C61 H93 Au2 Cl9 F6 I P2 Sb
• 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: 15.128 ± 0.0011 Å
• b: 17.2038 ± 0.0012 Å
• c: 17.914 ± 0.002 Å
• α: 111.6 ± 0.001°
• β: 103.331 ± 0.001°
• γ: 109.325 ± 0.001°
• Cell volume: 3746.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No