Information card for entry 4130890

Structure parameters

• Formula: C13 H12 Au F2 N
• Calculated formula: C13 H12 Au F2 N
• SMILES: [Au]1(c2c(c3[n]1cccc3C)c(F)ccc2)(F)C
• Title of publication: Evidence for Direct Transmetalation of Au^III-F with Boronic Acids.
• Authors of publication: Kumar, Roopender; Linden, Anthony; Nevado, Cristina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 42
• Pages of publication: 13790 - 13793
• a: 7.5121 ± 0.0002 Å
• b: 18.0598 ± 0.0006 Å
• c: 17.0484 ± 0.0005 Å
• α: 90°
• β: 99.554 ± 0.003°
• γ: 90°
• Cell volume: 2280.82 ± 0.12 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No