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Information card for entry 8000470
Preview
| Coordinates | 8000470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C180 H270 Ag26 Au S19 |
|---|---|
| Calculated formula | C180 H270 Ag26 Au S19 |
| SMILES | [Au]12345[Ag]6789[Ag]%10%11%12%13[Ag]%14%15%161[Ag]12%10[Ag]2%10%12[Ag]%12%17%184[Ag]4%19%20%21[Ag]%2236%11[Ag]3684[Ag]487%15[Ag]7%11%14[Ag]5%12%194[S]([Ag]3([S]8([Ag]3[Ag]458[Ag]%12%14([Ag]%15([Ag]%19%23%24[Ag]%25%26([Ag]%27([Ag]([S]%22([Ag]2%20([S]%10C2%10CC%20CC(CC(C%20)C%10)C2)[S]%21C2%10CC%20CC(CC(C%20)C2)C%10)C2%10CC%20CC(CC(C%10)C%20)C2)[S]%26%27C2%10CC%20CC(CC(C2)C%20)C%10)([S]4[Ag]2([Ag]([S]1([Ag]%177([S]%18C14CC7CC(C1)CC(C4)C7)[S]%11C14CC7CC(C1)CC(C7)C4)C14CC7CC(C1)CC(C4)C7)[S]%122C12CC4CC(CC(C1)C4)C2)[S]%13%25C12CC4CC(C1)CC(C2)C4)[S]9([Ag]%19([S]%23C12CC4CC(C2)CC(C1)C4)[S]38C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C2)C3)[S]%15%24C12CC3CC(C1)CC(C3)C2)[S]%14C12CC3CC(C1)CC(C2)C3)[S]%165C12CC3CC(CC(C3)C1)C2)C12CC3CC(C2)CC(C1)C3)[S]6C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2 |
| Title of publication | [AuAg26(SR)18S]− Nanocluster: Open Shell Structure and High Faradaic Efficiency in Electrochemical Reduction of CO2 to CO |
| Authors of publication | Lin, Xinzhang; Ma, Weiguang; Sun, Keju; Sun, Bo; Fu, Xuemei; Ren, Xiuqing; Liu, Chao; Huang, Jiahui |
| Journal of publication | The Journal of Physical Chemistry Letters |
| Year of publication | 2020 |
| Pages of publication | 552 - 557 |
| a | 30.891 ± 0.006 Å |
| b | 17.628 ± 0.004 Å |
| c | 39.727 ± 0.008 Å |
| α | 90° |
| β | 99.02 ± 0.03° |
| γ | 90° |
| Cell volume | 21366 ± 8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.099 |
| Weighted residual factors for significantly intense reflections | 0.2628 |
| Weighted residual factors for all reflections included in the refinement | 0.2709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.9793 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260332 (current) | 2021-01-01 | cif/ Adding structures of 8000470 via cif-deposit CGI script. |
8000470.cif |
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Users of the data should acknowledge the original authors of the
structural data.