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Information card for entry 1560267
Preview
| Coordinates | 1560267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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([Ag]%15%163([Ag]3%17%18%192[Ag]2%205([Ag]5%211([Ag]163[Ag]39%16%18([Ag]%10%14%21([Ag]698%135[Ag]584%12[Ag]7%15%172([Ag]%11%2065[S]([Ag]([S]8c2ccc(F)cc2Cl)([S]9c2ccc(F)cc2Cl)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(F)cc2Cl)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[Ag]([S]1c1c(Cl)cc(F)cc1)([S]%19c1ccc(F)cc1Cl)([S]3c1ccc(F)cc1Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 48.002 ± 0.01 Å |
| b | 35.012 ± 0.007 Å |
| c | 30.277 ± 0.006 Å |
| α | 90° |
| β | 127.84 ± 0.03° |
| γ | 90° |
| Cell volume | 40185 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1757 |
| Weighted residual factors for all reflections included in the refinement | 0.1812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.77484 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261491 (current) | 2021-02-04 | cif/ Adding structures of 1560267 via cif-deposit CGI script. |
1560267.cif |
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