Information card for entry 1518213

Structure parameters

• Formula: C28 H20 Au N S2
• Calculated formula: C27.9952 H19.997 Au N S1.9994
• 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: 35.5669 ± 0.0009 Å
• b: 35.5669 ± 0.0009 Å
• c: 7.2973 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9231.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.399
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No