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Information card for entry 8000393
Preview
| Coordinates | 8000393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C216 H180 Au Cu24 P12 |
|---|---|
| Calculated formula | C216 H180 Au Cu24 P12 |
| SMILES | [Au]12345[Cu]6789[Cu]%10%11%12%13[Cu]%14%15%16%17[Cu]%188%10([Cu]86([Cu]6%15%18([Cu]%10%15%18%17[Cu]%17%19%16([Cu]%16%20([Cu]%21%221([Cu]1%232([Cu]3%12%14%17%16)[Cu]2%13([Cu]3%11([Cu]%11%12%137[Cu]7%1449[Cu]49%16([Cu]%17%117([Cu]4([Cu]5%10%219[Cu]86%15%14%16)([Cu]%221%12%17[Cu]%2323%13[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Cu]%18%19%20[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters. |
| Authors of publication | Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 20 |
| Pages of publication | 6124 - 6128 |
| a | 33.383 ± 0.0009 Å |
| b | 38.6374 ± 0.0011 Å |
| c | 39.1118 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 50448 ± 2 Å3 |
| Cell temperature | 161 K |
| Ambient diffraction temperature | 161 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1036 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236670 (current) | 2019-11-24 | cif/ Adding structures of 8000393 via cif-deposit CGI script. |
8000393.cif |
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