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Information card for entry 4129384
Preview
| Coordinates | 4129384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H68 Ag4 Au4 B5 F20 N12 O P4 |
|---|---|
| Calculated formula | C80 H57 Ag4 Au4 B4.5 F18 N12 O P4 |
| SMILES | [Ag]123([Au]4567[Ag]89([Au]%10%11%125[Ag]5([Au]%13%14%15%10[Ag]%10([Au]14%13([P](c1cccc[n]%101)(c1cccc[n]31)c1ccccc1)[C]7%12%15C(c1ccccc1)=[O]9)([n]1c([P]%14(c3cccc[n]53)c3ccccc3)cccc1)[N]#CC)([n]1c([P]%11(c3cccc[n]83)c3ccccc3)cccc1)[N]#CC)([n]1c([P]6(c3cccc[n]23)c2ccccc2)cccc1)[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-] |
| 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 | 19.5362 ± 0.0003 Å |
| b | 21.4752 ± 0.0003 Å |
| c | 27.3013 ± 0.0004 Å |
| α | 76.93 ± 0.001° |
| β | 84.909 ± 0.001° |
| γ | 80.575 ± 0.001° |
| Cell volume | 10990.8 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.1549 |
| Residual factor for significantly intense reflections | 0.0849 |
| Weighted residual factors for significantly intense reflections | 0.2038 |
| Weighted residual factors for all reflections included in the refinement | 0.2555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252331 (current) | 2020-05-25 | cif/4 Fixing some Z values and formulae |
4129384.cif |
| 240108 | 2019-11-25 | cif/ Adding structures of 4129383, 4129384, 4129385, 4129386, 4129387, 4129388, 4129389, 4129390, 4129391, 4129392, 4129393, 4129394 via cif-deposit CGI script. |
4129384.cif |
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Users of the data should acknowledge the original authors of the
structural data.