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Information card for entry 1567108
Preview
| Coordinates | 1567108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H36 Ag13 F18 N6 O18 S6 |
|---|---|
| Calculated formula | C42 H36 Ag13 F18 N6 O18 S6 |
| SMILES | [Ag]12345[Ag]67([Ag]89%101[Ag]1%11%12%13[Ag]%14%15%168[Ag]8%17%183[Ag]2(OS(=O)(=O)C(F)(F)F)([c]2%17c[nH+]c(c[c]32[Ag]2%17%11%15[Ag]%11%15%19%20[Ag]%21%22%14([Ag]1%11([c]1%21[c]69cc([nH+]c1)C)[c]1%19cc([nH+]c[c]%13%171)C)[Ag]1%168([Ag]32%15(OS(=O)(=O)C(F)(F)F)[c]2%20[c]%221c[nH+]c(c2)C)[c]1%18c[nH+]c(c[c]471)C)C)[c]15c[nH+]c(c[c]%10%121)C)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Pyridine dicarbanion-bonded Ag<sub>13</sub> organometallic nanoclusters: synthesis and on-surface oxidative coupling reaction. |
| Authors of publication | Li, Cui-Cui; Zhang, Siqi; Tang, Jian; Jian, Ruijun; Xia, Yu; Zhao, Liang |
| Journal of publication | Chemical science |
| Year of publication | 2022 |
| Journal volume | 13 |
| Journal issue | 27 |
| Pages of publication | 8095 - 8103 |
| a | 14.0332 ± 0.0006 Å |
| b | 15.3545 ± 0.0007 Å |
| c | 22.418 ± 0.0009 Å |
| α | 82.805 ± 0.004° |
| β | 84.35 ± 0.003° |
| γ | 88.156 ± 0.004° |
| Cell volume | 4768.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1665 |
| Residual factor for significantly intense reflections | 0.1234 |
| Weighted residual factors for significantly intense reflections | 0.3387 |
| Weighted residual factors for all reflections included in the refinement | 0.3901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277099 (current) | 2022-08-06 | cif/ Updating files of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 Original log message: Adding full bibliography for 1567108--1567115.cif. |
1567108.cif |
| 276029 | 2022-06-15 | cif/ Adding structures of 1567108, 1567109, 1567110, 1567111, 1567112, 1567113, 1567114, 1567115 via cif-deposit CGI script. |
1567108.cif |
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Users of the data should acknowledge the original authors of the
structural data.