Information card for entry 4129389

Structure parameters

• Formula: C83 H80 Ag4 Au4 B5 F20 N15 O3 P4 S
• Calculated formula: C83 H63 Ag4 Au4 B5 F20 N15 O3 P4 S
• SMILES: [Ag]1234[Au]5678[Ag]9([Au]%10%11%126[Ag]6%13([Au]%14%15%16%10[Ag]%10([Au]15%14([C]7%11%15C(=[O]%13)c1[n]4ccs1)[P](c1cccc[n]31)(c1cccc[n]%101)c1ccccc1)([n]1c(cccc1)[P]%16(c1cccc[n]61)c1ccccc1)[N]#CC)([n]1c(cccc1)[P]%12(c1cccc[n]91)c1ccccc1)[N]#CC)([n]1c(cccc1)[P]8(c1cccc[n]21)c1ccccc1)[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-].CO.CC#N.CC#N.CO.CC#N
• 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: 16.296 ± 0.0003 Å
• b: 16.881 ± 0.0004 Å
• c: 20.509 ± 0.0004 Å
• α: 100.93 ± 0.002°
• β: 93.259 ± 0.002°
• γ: 116.217 ± 0.002°
• Cell volume: 4905.9 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0659
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No