Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553988
Preview
| Coordinates | 1553988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C156 H138 Au13 Cl F24 P16 |
|---|---|
| Calculated formula | C156 H138 Au13 Cl F24 P16 |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)[Au]234[Au]56789%10[Au]%11%12%13[P](c%14ccccc%14)(c%14ccccc%14)C[P]([Au]%14[Au]%155%11[P](C[P]([Au]56[Au]%10%13%15[P](C[P](c6ccccc6)(c6ccccc6)[Au]9%12[Au]([P](C1)(c1ccccc1)c1ccccc1)[Au]138[Au]27([P](c2ccccc2)(c2ccccc2)C[P]([Au]4%14)(c2ccccc2)c2ccccc2)[Au]5[P](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Cl-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c1ccccc1 |
| 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 | 17.4438 ± 0.0003 Å |
| b | 19.0667 ± 0.0004 Å |
| c | 24.5099 ± 0.0004 Å |
| α | 86.385 ± 0.001° |
| β | 84.399 ± 0.001° |
| γ | 84.413 ± 0.001° |
| Cell volume | 8062.6 ± 0.3 Å3 |
| Cell temperature | 93 ± 0.1 K |
| Ambient diffraction temperature | 93 ± 0.1 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236264 (current) | 2019-11-24 | cif/ Adding structures of 1553986, 1553987, 1553988 via cif-deposit CGI script. |
1553988.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.