Information card for entry 4517734

Structure parameters

• Formula: C22.5 H17 Au Cl6 O
• Calculated formula: C22.5 H17 Au Cl6 O
• Title of publication: Gold(I) or Gold(III) as Real Intermediate Species in Gold-Catalyzed Cycloaddition Reactions of Enynal/Enynone?
• Authors of publication: Zhang, Caiyun; Wang, Gendi; Zhan, Licheng; Yang, Xueyan; Wang, Jiwei; Wei, Yin; Xu, Sheng; Shi, Min; Zhang, Jun
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 6682 - 6690
• a: 20.839 ± 0.004 Å
• b: 14.241 ± 0.002 Å
• c: 16.555 ± 0.003 Å
• α: 90°
• β: 98.828 ± 0.003°
• γ: 90°
• Cell volume: 4854.8 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No