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Information card for entry 1553987
Preview
| Coordinates | 1553987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C102 H92 Au8 Cl6 P8 S2 |
|---|---|
| Calculated formula | C102 H92 Au8 Cl6 P8 S2 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)[Au]2345[S]6[Au]78[P](C[P](c9ccccc9)(c9ccccc9)[Au]9%1057[Au]52([P](C[P]([Au]25[Au]3([P](C1)(c1ccccc1)c1ccccc1)[S]92)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Au]14%10[P](C[P]([Au]681)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[Cl-].C(Cl)Cl.[Cl-] |
| Title of publication | Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. |
| Authors of publication | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 5 |
| Pages of publication | 1251 - 1258 |
| a | 27.105 ± 0.006 Å |
| b | 29.82 ± 0.007 Å |
| c | 28.748 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 23236 ± 9 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 6 |
| Space group number | 68 |
| Hermann-Mauguin space group symbol | C c c a :2 |
| Hall space group symbol | -C 2a 2ac |
| Residual factor for all reflections | 0.1037 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1553987.cif |
| 236264 | 2019-11-24 | cif/ Adding structures of 1553986, 1553987, 1553988 via cif-deposit CGI script. |
1553987.cif |
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