Information card for entry 4127486

Structure parameters

• Formula: C38 H52.73 Au B Cl2 F4 N4 O7.37
• Calculated formula: C38 H52 Au B Cl2 F4 N4 O7.372
• Title of publication: Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF₃ and IPrAu(I)-Succinimide.
• Authors of publication: Kim, Suhong; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 10
• Pages of publication: 4308 - 4315
• a: 12.42 ± 0.0006 Å
• b: 12.666 ± 0.0006 Å
• c: 14.5678 ± 0.0008 Å
• α: 77.775 ± 0.002°
• β: 89.028 ± 0.002°
• γ: 86.844 ± 0.002°
• Cell volume: 2236.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No