Information card for entry 4123810

Structure parameters

• Formula: C26 H22 Au Br F3 P
• Calculated formula: C26 H22 Au Br F3 P
• SMILES: C(F)(F)(F)[Au](c1ccc(cc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Br
• 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: 9.8032 ± 0.0007 Å
• b: 13.4073 ± 0.0009 Å
• c: 18.8219 ± 0.0013 Å
• α: 88.155 ± 0.001°
• β: 89.724 ± 0.002°
• γ: 75.745 ± 0.001°
• Cell volume: 2396.4 ± 0.3 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: 0.0297
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No