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Information card for entry 1552147
Preview
| Coordinates | 1552147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C232 H306 Ag28 B2 O P4 Pt S18 |
|---|---|
| Calculated formula | C232 H305 Ag28 B2 O P4 Pt S18 |
| SMILES | [Pt]123456789%10%11[Ag]%12%13%14%15[Ag]%16%17%183[Ag]3%19%204[Ag]4%21%222[S]2%23([Ag]%24[S]([Ag]3[S]3%17([Ag]%17%16[S]([Ag]%16[S]%25%12([Ag]%12([S]%26([Ag]%27%28%10%14%16[Ag]%10%141[Ag]1%165%27[S]5([Ag]%27([Ag]%10([S]%19([Ag]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S]%17%14C3CCCCC3)C3CCCCC3)[S]%27C3CCCCC3)[Ag]36%2041[Ag]1469[Ag]9%10%14%177[Ag]8%13%18%21%24[S]7([Ag]%14[S]([Ag]%15%25[S]%12([Ag]%11%2819[Ag]1%26[Ag]%165([S]6([Ag]([S]3([Ag]4[S]([Ag]%222%10[S]%17([Ag]%237[P](c2ccccc2)(c2ccccc2)c2ccccc2)C2CCCCC2)C2CCCCC2)C2CCCCC2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)C2CCCCC2)[S]1C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Reversible nanocluster structure transformation between face-centered cubic and icosahedral isomers |
| Authors of publication | Kang, Xi; Huang, Li; Liu, Wei; Xiong, Lin; Pei, Yong; Sun, Zhihu; Wang, Shuxin; Wei, Shiqiang; Zhu, Manzhou |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 21.778 ± 0.006 Å |
| b | 40.485 ± 0.01 Å |
| c | 30.75 ± 0.008 Å |
| α | 90° |
| β | 99.764 ± 0.003° |
| γ | 90° |
| Cell volume | 26719 ± 12 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1353 |
| Residual factor for significantly intense reflections | 0.1114 |
| Weighted residual factors for significantly intense reflections | 0.28 |
| Weighted residual factors for all reflections included in the refinement | 0.288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217405 (current) | 2019-08-06 | cif/ Adding structures of 1552147 via cif-deposit CGI script. |
1552147.cif |
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Users of the data should acknowledge the original authors of the
structural data.