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Information card for entry 4127271
Preview
| Coordinates | 4127271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C216 H180 Ag32 Cd12 Se36 |
|---|---|
| Calculated formula | C216 H180 Ag32 Cd12 Se36 |
| SMILES | [Cd]123[Se]([Ag]4[Se]([Cd]56[Se]([Ag]789[Ag]%10%11%12%13%14%15%16[Ag]%17%18%19%20%21%22%23[Ag]%24%25%26%27%28%29%10[Ag]%10%30%31%32%33%11%17[Ag]%11%17[Ag]%34%35%26[Ag]%26%36%24[Ag]%24%21[Ag]%21%25[Ag]%25%37%18[Ag]%18%38%20[Ag]%20%13[Ag]8%23[Se]6([Cd]6([Se]4c4ccccc4)[Se]3([Ag]%30([Ag]3%19[Ag]4%10([Ag]8%31([Ag]%14([Ag]%10%33[Ag]%139%16[Ag]97%12[Ag]%27([Ag]7%15[Ag]%29%34%26[Se]([Cd]%12%14[Se]([Ag]%15[Se]([Cd]%16([Se]%12([Ag]%28%11[Ag]%3248[Se]%16c4ccccc4)c4ccccc4)[Se]%10([Cd]([Se]%15c4ccccc4)([Se]%13c4ccccc4)[Se]7%14c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)[Se]4([Cd]7([Se]([Ag]8[Se]([Cd]4([Se]9c4ccccc4)[Se]%20([Cd]([Se]8c4ccccc4)([Se]%38c4ccccc4)[Se]%247c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)[Se]%36c4ccccc4)c4ccccc4)[Se]15c1ccccc1)[Se]2c1ccccc1)[Se]([Cd]12[Se]([Ag]4[Se]([Cd]([Se]%172c2ccccc2)([Se]%35c2ccccc2)[Se]%21([Cd]([Se]4c2ccccc2)([Se]%37c2ccccc2)[Se]31c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[Ag]%22%25%18[Se]6c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Cd<sub>12</sub>Ag<sub>32</sub>(SePh)<sub>36</sub>: Non-Noble Metal Doped Silver Nanoclusters. |
| Authors of publication | Bootharaju, Megalamane S.; Chang, Hogeun; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 21 |
| Pages of publication | 8422 - 8425 |
| a | 19.2821 ± 0.0004 Å |
| b | 19.3677 ± 0.0004 Å |
| c | 34.7903 ± 0.0005 Å |
| α | 88.3916 ± 0.0013° |
| β | 86.2435 ± 0.0013° |
| γ | 85.6543 ± 0.0015° |
| Cell volume | 12923.8 ± 0.4 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1565 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223205 (current) | 2019-11-04 | cif/ Updating files of 4127271 Original log message: Adding full bibliography for 4127271.cif. |
4127271.cif |
| 215321 | 2019-05-21 | cif/ Adding structures of 4127271 via cif-deposit CGI script. |
4127271.cif |
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