Information card for entry 4123809

Structure parameters

• Formula: C26.33 H22.67 Au Cl0.67 F4 P
• Calculated formula: C26.3333 H22.6667 Au Cl0.666667 F4 P
• SMILES: C(F)(F)(F)[Au](c1ccc(cc1)C)(F)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Halide-Dependent Mechanisms of Reductive Elimination from Gold(III).
• Authors of publication: Winston, Matthew S.; Wolf, William J.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 24
• Pages of publication: 7921 - 7928
• a: 12.8381 ± 0.001 Å
• b: 13.7456 ± 0.001 Å
• c: 23.3799 ± 0.0016 Å
• α: 84.519 ± 0.003°
• β: 80.511 ± 0.003°
• γ: 64.036 ± 0.003°
• Cell volume: 3657.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No