Information card for entry 1518209

Structure parameters

• Formula: C11 H7 Au Cl2 F N
• Calculated formula: C11 H7 Au Cl2 F N
• SMILES: [Au]1(c2c(c3[n]1cccc3)ccc(F)c2)(Cl)Cl
• Title of publication: Suzuki‒Miyaura coupling of arylboronic acids to gold(iii)
• Authors of publication: Maity, Ayan; Sulicz, Amanda N.; Deligonul, Nihal; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 981
• a: 9.1445 ± 0.0019 Å
• b: 7.8648 ± 0.0016 Å
• c: 15.71 ± 0.003 Å
• α: 90°
• β: 106.294 ± 0.005°
• γ: 90°
• Cell volume: 1084.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No