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Information card for entry 1545119
Preview
| Coordinates | 1545119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Au34(SC6H11)22 |
|---|---|
| Formula | C132 H242 Au34 S22 |
| Calculated formula | C132 H242 Au34 S22 |
| SMILES | [Au]1234567[Au]89%10%11[Au]%12%13%143[Au]348[Au]48[Au]%15%16%17%10[Au]%10%185([Au]5%19%20%21%221[Au]1%23%24[Au]%25%26%272[Au]2%105([Au]5([Au]%10%28%22%23[Au]%22%23%29([Au]%30%31%329%15%19[Au]%11%16([Au]%12([S]([Au][S]4C4CCCCC4)C4CCCCC4)[S]([Au]%13%211%10%30)C1CCCCC1)[S]([Au]1[Au]4%23%31([Au]([S]%28C9CCCCC9)[S]([Au]([Au]9%29%324[Au]([S]%17C4CCCCC4)[S]9C4CCCCC4)[S]([Au][S]([Au]%18%202%22)C2CCCCC2)C2CCCCC2)C2CCCCC2)[S]1C1CCCCC1)C1CCCCC1)[S]5C1CCCCC1)[S]%27C1CCCCC1)[S]([Au]1[Au]26%25([Au]47%26([Au]([S]%14C5CCCCC5)[S]4C4CCCCC4)[Au]([S]1C1CCCCC1)[S]([Au][S]%24C1CCCCC1)C1CCCCC1)[Au]([S]2C1CCCCC1)[S]3C1CCCCC1)C1CCCCC1)[S]8C1CCCCC1 |
| Title of publication | A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends. |
| Authors of publication | Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun |
| Journal of publication | Nanoscale |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 3742 - 3746 |
| a | 26.0266 ± 0.0007 Å |
| b | 27.9405 ± 0.0008 Å |
| c | 28.5247 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20743.1 ± 1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 172.99 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1314 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195147 (current) | 2017-04-05 | cif/ Updating files of 1545119, 1545120 Original log message: Adding full bibliography for 1545119--1545120.cif. |
1545119.cif |
| 190818 | 2017-01-21 | cif/ Adding structures of 1545119, 1545120 via cif-deposit CGI script. |
1545119.cif |
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Users of the data should acknowledge the original authors of the
structural data.