Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560268
Preview
| Coordinates | 1560268.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C180 H138 Ag14 Cl6 F6 P8 Pt S6 |
|---|---|
| Calculated formula | C180 H138 Ag14 Cl6 F6 P8 Pt S6 |
| SMILES | [Pt]123456789%10%11[Ag]%12%13%14%15%16[Ag]%17%18%191[Ag]1%202%12([Ag]2%126%18([Ag]6%185([Ag]4%14%17([Ag]43%13([Ag]8%15%20([Ag]712[P](c1ccccc1)(c1ccccc1)c1ccccc1)([Ag]12%11[Ag]35964[Ag]%10%12%181[S]([Ag]3([S]5c1c(Cl)cc(F)cc1)([S]2c1c(Cl)cc(F)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(Cl)cc(F)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]([Ag]([S]%16c1c(Cl)cc(F)cc1)([S]%19c1c(Cl)cc(F)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(Cl)cc(F)cc1 |
| Title of publication | Correlating Kernel–Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters |
| Authors of publication | Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2021 |
| Journal volume | 125 |
| Journal issue | 3 |
| Pages of publication | 2194 - 2201 |
| a | 47.8113 ± 0.0013 Å |
| b | 34.9302 ± 0.001 Å |
| c | 30.1732 ± 0.0008 Å |
| α | 90° |
| β | 127.995 ± 0.001° |
| γ | 90° |
| Cell volume | 39711 ± 2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560268.cif |
| 261492 | 2021-02-04 | cif/ Adding structures of 1560268 via cif-deposit CGI script. |
1560268.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.