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Information card for entry 4129391
Preview
| Coordinates | 4129391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79.5 H92.25 Ag4 Au4 B5 F20 N13.5 O1.5 P4 |
|---|---|
| Calculated formula | C79.5 H57 Ag4 Au4 B5 F20 N13.5 O1.5 P4 |
| SMILES | [Ag]123([Au]4567[Ag]8([Au]9%10%115[Ag]5([Au]%12%13%149[Ag]9([Au]14%12([C]6%10%13C(=O)CC)[P](c1cccc[n]31)(c1ccccc1)c1cccc[n]91)([n]1c(cccc1)[P]%14(c1ccccc1)c1cccc[n]51)[N]#CC)([n]1c(cccc1)[P]%11(c1ccccc1)c1cccc[n]81)[N]#CC)([n]1c(cccc1)[P]7(c1ccccc1)c1cccc[n]21)[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-].C(#N)C.C(#N)C.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 | 17.2026 ± 0.0009 Å |
| b | 23.0716 ± 0.0014 Å |
| c | 26.8972 ± 0.0012 Å |
| α | 88.519 ± 0.004° |
| β | 80.909 ± 0.004° |
| γ | 69.262 ± 0.005° |
| Cell volume | 9853 ± 1 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 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 | 0.0929 |
| Residual factor for significantly intense reflections | 0.0762 |
| Weighted residual factors for significantly intense reflections | 0.2097 |
| Weighted residual factors for all reflections included in the refinement | 0.22 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240108 (current) | 2019-11-25 | cif/ Adding structures of 4129383, 4129384, 4129385, 4129386, 4129387, 4129388, 4129389, 4129390, 4129391, 4129392, 4129393, 4129394 via cif-deposit CGI script. |
4129391.cif |
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