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Information card for entry 4129387
Preview
| Coordinates | 4129387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| 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. |
4129387.cif |
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Users of the data should acknowledge the original authors of the
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