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Information card for entry 4129389
Preview
| Coordinates | 4129389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| 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. |
4129389.cif |
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Users of the data should acknowledge the original authors of the
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