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Information card for entry 4131883
Preview
| Coordinates | 4131883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C252 H246 Ag26 P6 Pt S18 |
|---|---|
| Calculated formula | C252 H246 Ag26 P6 Pt S18 |
| SMILES | [Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]2([Ag]3[S]4([Ag]([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]5([Ag]2[S]([Ag]2[Pt]6789%10%11%12%13%14([Ag]%15[S]%16(c%17c(CC)cccc%17)[Ag]([P](c%17ccccc%17)(c%17ccccc%17)c%17ccccc%17)[S]%17([Ag]%18[S]%19([Ag]([S]([Ag]7[Ag]9[S]([Ag]%19[S]7([Ag]8[Ag]%10[S]([Ag]%16[S]%18([Ag]7[P](c7ccccc7)(c7ccccc7)c7ccccc7)c7c(CC)cccc7)c7c(CC)cccc7)c7c(CC)cccc7)c7c(CC)cccc7)([Ag]%17[S]([Ag]%11%15)c7c(CC)cccc7)c7c(CC)cccc7)[P](c7ccccc7)(c7ccccc7)c7ccccc7)c7c(CC)cccc7)c7c(CC)cccc7)[Ag]([Ag]5%14)[S]([Ag]4[S]4([Ag]([P](c5ccccc5)(c5ccccc5)c5ccccc5)[S]3([Ag]([S]([Ag]6[Ag]%124)c3c(CC)cccc3)[S]1([Ag]2%13)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1)c1c(CC)cccc1 |
| Title of publication | Kernel Tuning and Nonuniform Influence on Optical and Electrochemical Gaps of Bimetal Nanoclusters. |
| Authors of publication | He, Lizhong; Yuan, Jinyun; Xia, Nan; Liao, Lingwen; Liu, Xu; Gan, Zibao; Wang, Chengming; Yang, Jinlong; Wu, Zhikun |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 10 |
| Pages of publication | 3487 - 3490 |
| a | 31.446 ± 0.006 Å |
| b | 31.446 ± 0.006 Å |
| c | 49.095 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 42043 ± 14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241977 (current) | 2019-11-25 | cif/ Adding structures of 4131883 via cif-deposit CGI script. |
4131883.cif |
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Users of the data should acknowledge the original authors of the
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