Information card for entry 4129385

Structure parameters

• Formula: C164 H149 Ag8 Au8 B10 Cl0 F40 N25 O4 P8
• Calculated formula: C164 H118 Ag8 Au8 B8 F32 N25 O4 P8
• Title of publication: Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H Bonds of Methyl Ketones under Mild Conditions.
• Authors of publication: Pei, Xiao-Li; Yang, Yang; Lei, Zhen; Chang, Shan-Shan; Guan, Zong-Jie; Wan, Xian-Kai; Wen, Ting-Bin; Wang, Quan-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 16
• Pages of publication: 5520 - 5525
• a: 22.0485 ± 0.0003 Å
• b: 32.5162 ± 0.0004 Å
• c: 28.0735 ± 0.0004 Å
• α: 90°
• β: 97.359 ± 0.001°
• γ: 90°
• Cell volume: 19961 ± 0.5 ų
• Cell temperature: 172.95 ± 0.1 K
• Ambient diffraction temperature: 172.95 ± 0.1 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No