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Information card for entry 4514787
Preview
| Coordinates | 4514787.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 N |
|---|---|
| Calculated formula | C8 H6 N |
| Title of publication | Involving Single-Atom Silver(0) in Selective Dehalogenation by AgF under Visible-Light Irradiation |
| Authors of publication | Wu, Wenli; Cui, Enxin; Zhang, Yun; Zhang, Chen; Zhu, Feng; Tung, Chen-Ho; Wang, Yifeng |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 6335 |
| a | 7.8048 ± 0.0003 Å |
| b | 5.9454 ± 0.0003 Å |
| c | 13.2408 ± 0.0005 Å |
| α | 90° |
| β | 92.593 ± 0.004° |
| γ | 90° |
| Cell volume | 613.78 ± 0.05 Å3 |
| Cell temperature | 172.98 ± 0.1 K |
| Ambient diffraction temperature | 172.98 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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 |
|---|---|---|---|
| 219947 (current) | 2019-10-28 | cif/ Adding structures of 4514787 via cif-deposit CGI script. |
4514787.cif |
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Users of the data should acknowledge the original authors of the
structural data.