Information card for entry 4129384

Structure parameters

• Formula: C80 H68 Ag4 Au4 B5 F20 N12 O P4
• Calculated formula: C80 H57 Ag4 Au4 B4.5 F18 N12 O P4
• SMILES: [Ag]123([Au]4567[Ag]89([Au]%10%11%125[Ag]5([Au]%13%14%15%10[Ag]%10([Au]14%13([P](c1cccc[n]%101)(c1cccc[n]31)c1ccccc1)[C]7%12%15C(c1ccccc1)=[O]9)([n]1c([P]%14(c3cccc[n]53)c3ccccc3)cccc1)[N]#CC)([n]1c([P]%11(c3cccc[n]83)c3ccccc3)cccc1)[N]#CC)([n]1c([P]6(c3cccc[n]23)c2ccccc2)cccc1)[N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 19.5362 ± 0.0003 Å
• b: 21.4752 ± 0.0003 Å
• c: 27.3013 ± 0.0004 Å
• α: 76.93 ± 0.001°
• β: 84.909 ± 0.001°
• γ: 80.575 ± 0.001°
• Cell volume: 10990.8 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1549
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No