Information card for entry 1518211

Structure parameters

• Formula: C27 H20 Au Cl2 F6 N
• Calculated formula: C27 H20 Au Cl2 F6 N
• SMILES: c1cccc2c3ccc(cc3[Au](c3ccc(cc3)C(F)(F)F)(c3ccc(cc3)C(F)(F)F)[n]12)C.C(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: 9.334 ± 0.0011 Å
• b: 11.4331 ± 0.0013 Å
• c: 12.8416 ± 0.0017 Å
• α: 73.407 ± 0.004°
• β: 81.938 ± 0.004°
• γ: 73.869 ± 0.003°
• Cell volume: 1258.9 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No