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Information card for entry 1560268
Preview
Coordinates | 1560268.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%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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1560268.html
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