Information card for entry 4129392

Structure parameters

• Formula: C75 H70 Ag4 Au4 B5 F20 N11 O2 P4
• Calculated formula: C75 H59 Ag4 Au4 B5 F20 N11 O2 P4
• SMILES: [Au]12345[Au]6789[Au]%10%11%12%13[Au]%14%151([Ag]1%11([n]%11c([P]%12(c%12cccc[n]%12[Ag]7%10([n]7c([P]8(c8cccc[n]8[Ag]26([OH2])[n]2c([P]4(c4cccc[n]4[Ag]3%14([n]3c([P]%15(c4cccc[n]14)c1ccccc1)cccc3)[N]#CC)c1ccccc1)cccc2)c1ccccc1)cccc7)[N]#CC)c1ccccc1)cccc%11)[N]#CC)[C]59%13C(=O)C(C)C.[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: 22.0571 ± 0.0006 Å
• b: 32.627 ± 0.0012 Å
• c: 33.4585 ± 0.0012 Å
• α: 90°
• β: 123.909 ± 0.002°
• γ: 90°
• Cell volume: 19983.5 ± 1.3 ų
• Cell temperature: 172.95 ± 0.1 K
• Ambient diffraction temperature: 172.95 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1744
• Residual factor for significantly intense reflections: 0.1074
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No