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Information card for entry 1560269
Preview
| Coordinates | 1560269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C216 H140 Ag24 Cl20 F20 P4 Pt S20 |
|---|---|
| Calculated formula | C216 H140 Ag24 Cl20 F20 P4 Pt S20 |
| SMILES | Fc1ccc([S]2[Ag]3[Ag]45[S]6([Ag]74[S]([Ag]4[S]([Ag]8[Ag]9[S]4([Ag]4[S]7([Ag]([S]([Ag]26)c2c(Cl)cc(cc2)F)[S]2([Ag]([S]([Ag]6[Pt]7%10%11%12%133589([Ag]26)[Ag]2[S]([Ag]3[S]([Ag]5S6([Ag]([S]3([Ag]%102)c2ccc(F)cc2Cl)[S]([Ag]2[S]([Ag]%13[Ag]%11[S]2c2c(Cl)cc(F)cc2)([Ag]6[S]([Ag]2[S]5([Ag]7[Ag]%12[S]2c2ccc(F)cc2Cl)c2ccc(F)cc2Cl)c2c(Cl)cc(F)cc2)c2ccc(F)cc2Cl)c2c(Cl)cc(F)cc2)c2ccc(F)cc2Cl)c2c(cc(F)cc2)Cl)c2ccc(F)cc2Cl)c2c(Cl)cc(F)cc2)[S]4c2c(Cl)cc(F)cc2)c2ccc(F)cc2Cl)c2ccc(cc2Cl)F)c2ccc(F)cc2Cl)c2ccc(F)cc2Cl)c2c(cc(F)cc2)Cl)c2ccc(F)cc2Cl)c(Cl)c1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(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 | 18.9452 ± 0.001 Å |
| b | 19.2539 ± 0.0012 Å |
| c | 20.0639 ± 0.0011 Å |
| α | 89.647 ± 0.004° |
| β | 67.76 ± 0.003° |
| γ | 71.704 ± 0.003° |
| Cell volume | 6378.7 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1495 |
| Residual factor for significantly intense reflections | 0.1253 |
| Weighted residual factors for significantly intense reflections | 0.3288 |
| Weighted residual factors for all reflections included in the refinement | 0.3579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.3425 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261493 (current) | 2021-02-04 | cif/ Adding structures of 1560269 via cif-deposit CGI script. |
1560269.cif |
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Users of the data should acknowledge the original authors of the
structural data.