Information card for entry 4129387

Structure parameters

• Formula: C84 H80 Ag4 Au4 B5 F20 N13 Na0 O4 P4
• Calculated formula: C84 H56 Ag4 Au4 B5 F20 N13 O4 P4
• SMILES: [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-].[n]12[Ag]34[n]5ccccc5[P]5([Au]64[Ag]4([n]7c([P]8([Au]94[Ag]4%10([n]%11c8cccc%11)([n]8c([P]%11([Au]%12%10[Ag]%10([n]%13c%11cccc%13)([n]%11c([P]([Au]3%10[C]69%12C(=[O]4)c3ccccc3[O-])(c1cccc2)c1ccccc1)cccc%11)[N]#CC)c1ccccc1)cccc8)[N]#CC)c1ccccc1)cccc7)([N]#CC)[n]1ccccc51)c1ccccc1.OC.OC.N#CC.N#CC
• 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: 16.1973 ± 0.0005 Å
• b: 16.6308 ± 0.0004 Å
• c: 20.6296 ± 0.0007 Å
• α: 101.403 ± 0.002°
• β: 93.404 ± 0.002°
• γ: 115.575 ± 0.002°
• Cell volume: 4847.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No