Information card for entry 1518218

Structure parameters

• Formula: C20.62 H17.23 Au Cl1.23 N O
• Calculated formula: C20.617 H17.234 Au Cl1.234 N O
• 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: 22.3204 ± 0.0012 Å
• b: 11.4097 ± 0.0005 Å
• c: 7.0554 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.79 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No