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Information card for entry 4002836
Preview
| Coordinates | 4002836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C180 H150 Au23 Br7 P10 Pd2 |
|---|---|
| Calculated formula | C180 H150 Au23 Br7 P10 Pd2 |
| SMILES | c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]12345[Au]6789%10%11[Au]%12%13%14%15%16%17%18%19%20%21[Au]%22%23%24%25%267[Au]7%2716([Au]16%28%22([Au]%22%29%30%31%13%23[Au]%13%23%32%33%34%14[Au]%14%35%362([Au]2371([Au]6%22%13%14([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]49%15%25%27%28%30%32%352[Au]15%11%18%33%36[Au]2345%12([Br]1)[Au]167%10%16([Br]8)[Au]89%10%11([Au]%12%13%17%261([Br]%24)[Au]1%14%158([Au]8%16%19%31%12([Br]%29)[Au]%12%17%20%344([Br]%23)[Au]4%18%193([Au]3269([Au]2%1014([Au]%148%12%18([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]%2157%11%13%15%16%17%1932)Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and Structure of Self-Assembled Pd2Au23(PPh3)10Br7 Nanocluster: Exploiting Factors That Promote Assembly of Icosahedral Nano-Building-Blocks |
| Authors of publication | Kang, Xi; Xiang, Ji; Lv, Ying; Du, Wenjun; Yu, Haizhu; Wang, Shuxin; Zhu, Manzhou |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| a | 16.475 ± 0.004 Å |
| b | 24.378 ± 0.005 Å |
| c | 29.61 ± 0.006 Å |
| α | 90° |
| β | 102.95 ± 0.003° |
| γ | 90° |
| Cell volume | 11590 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1665 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.1441 |
| Weighted residual factors for all reflections included in the refinement | 0.1696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199720 (current) | 2017-08-12 | cif/ Adding structures of 4002836 via cif-deposit CGI script. |
4002836.cif |
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