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Information card for entry 1569455
Preview
| Coordinates | 1569455.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C113 H114 Ag4 Au9 Cl7 P8 |
|---|---|
| Calculated formula | C113 H114 Ag4 Au9 Cl7 P8 |
| SMILES | [Au]12345[Au]6789[Au]%10%11%12%13[Au]%14%151([Au]1%16%175[Au]5%18%19%20[Au]26([Ag]8%15%16%18Cl)([Ag]2%19([Au]635([Au]4%10([Ag]%11%1416Cl)([Ag]7%122Cl)[P](c1ccccc1)(c1ccccc1)CCCC[P]%13(c1ccccc1)c1ccccc1)[P](CCCC[P]%17(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl)[P](c1ccccc1)(c1ccccc1)CCCC[P]%20(c1ccccc1)c1ccccc1)[P](c1ccccc1)(CCCC[P]9(c1ccccc1)c1ccccc1)c1ccccc1.ClCCl.[Cl-] |
| Title of publication | Bright near-infrared circularly polarized electrochemiluminescence from Au<sub>9</sub>Ag<sub>4</sub> nanoclusters. |
| Authors of publication | Jiang, Lirong; Jing, Mengmeng; Yin, Bing; Du, Wenjun; Wang, Xiaojian; Liu, Ying; Chen, Shuang; Zhu, Manzhou |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 26 |
| Pages of publication | 7304 - 7309 |
| a | 17.8906 ± 0.0004 Å |
| b | 21.6153 ± 0.0005 Å |
| c | 23.3885 ± 0.0005 Å |
| α | 110.163 ± 0.002° |
| β | 103.825 ± 0.002° |
| γ | 105.043 ± 0.002° |
| Cell volume | 7642.4 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0992 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2493 |
| Weighted residual factors for all reflections included in the refinement | 0.269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286052 (current) | 2023-09-05 | cif/ Updating files of 1569455 Original log message: Adding full bibliography for 1569455.cif. |
1569455.cif |
| 285000 | 2023-07-06 | cif/ Adding structures of 1569455 via cif-deposit CGI script. |
1569455.cif |
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