Information card for entry 4129388

Structure parameters

• Formula: C157 H144 Ag8 Au8 B10 F40 N24 O6 P8
• Calculated formula: C157 H112 Ag8 Au8 B10 F40 N24 O6 P8
• SMILES: [Ag]123([Au]45678[Ag]9([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(=O)c1cccc[n]81)([n]1c([P]%14(c3cccc[n]53)c3ccccc3)cccc1)[N]#CC)([n]1c([P]%11(c3cccc[n]93)c3ccccc3)cccc1)[N]#CC)([n]1c([P]6(c3cccc[n]23)c2ccccc2)cccc1)[N]#CC)[N]#CC.[Ag]123([Au]4567[Ag]8([Au]9%10%114[Ag]4%12([Au]%13%14%159[Ag]9([Au]15%13([P](c1cccc[n]31)(c1cccc[n]91)c1ccccc1)[C]7%11%15C(=O)c1cccc[n]41)([n]1c([P]%14(c3cccc[n]%123)c3ccccc3)cccc1)[N]#CC)[n]1c([P]%10(c3cccc[n]83)c3ccccc3)cccc1)([n]1c([P]6(c3cccc[n]23)c2ccccc2)cccc1)[OH2])[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-].[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-].OC.OC.OC
• 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: 19.9871 ± 0.0013 Å
• b: 20.5857 ± 0.001 Å
• c: 28.8504 ± 0.0016 Å
• α: 94.618 ± 0.004°
• β: 106.315 ± 0.005°
• γ: 108.447 ± 0.005°
• Cell volume: 10618.3 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1069
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No