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Information card for entry 1547467
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Coordinates | 1547467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C256 H288 Au52 S32 |
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Calculated formula | C256 H188 Au52 S32 |
SMILES | [Au]12345[Au]6789[Au]%10%11%12%13[Au]%14%15%163[Au]3%17%182[Au]2%19%20%21[Au]%22%2316[Au]16%24%19[Au]%19%252[Au]2%263([Au]3%27%28%10[Au]%10%29%30%26[Au]%26%31%32%33[Au]%34%35%36%10[Au]%10%37([Au]%381([Au]1%39%34%10[Au]%10%34%40%32[Au]%32%41%42%31[Au]%31%43%44%45[Au]%46%47%48([Au]%49%50%31([Au]3%44%47[Au]3%32([Au]%19%30%381[Au]57%22%273)([Au]%10([S]%40CCc1ccccc1)[S]%24CCc1ccccc1)[S]([Au][S]([Au]1[Au]%33%34%41([Au]([S]([Au][S]%45CCc3ccccc3)CCc3ccccc3)[S]%39CCc3ccccc3)[S]1CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)[Au]8%11([Au]([S]9CCc1ccccc1)[S]([Au][S]%50CCc1ccccc1)CCc1ccccc1)([Au]%12%28%48%49[S]([Au][S]([Au][S]([Au]%29%26%35%43%46)CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)[S]([Au][S]%42CCc1ccccc1)CCc1ccccc1)[S]([Au]%142[S]%16CCc1ccccc1)CCc1ccccc1)([Au]%206%25%37[S]([Au][S]([Au][S]%36CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)[S]([Au][S]([Au][S]%23CCc1ccccc1)CCc1ccccc1)CCc1ccccc1)[S]([Au][S]%18CCc1ccccc1)CCc1ccccc1)[S]([Au][S]([Au]1[Au]4%15%17([Au]([S]([Au][S]%21CCc2ccccc2)CCc2ccccc2)[S]%13CCc2ccccc2)[S]1CCc1ccccc1)CCc1ccccc1)CCc1ccccc1 |
Title of publication | The fcc structure isomerization in gold nanoclusters |
Authors of publication | Zhuang, Shengli; Liao, Lingwen; Li, Man-Bo; Yao, Chuanhao; Zhao, Yan; Dong, Hongwei; Li, Jin; Deng, Haiteng; Li, Lingling; Wu, Zhikun |
Journal of publication | Nanoscale |
Year of publication | 2017 |
a | 19.222 ± 0.0008 Å |
b | 19.8976 ± 0.0008 Å |
c | 21.4243 ± 0.0009 Å |
α | 116.588 ± 0.002° |
β | 95.458 ± 0.002° |
γ | 95.019 ± 0.002° |
Cell volume | 7216.1 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1836 |
Residual factor for significantly intense reflections | 0.1352 |
Weighted residual factors for significantly intense reflections | 0.3636 |
Weighted residual factors for all reflections included in the refinement | 0.4084 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.458 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1547467.html
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Users of the data should acknowledge the original authors of the
structural data.