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Information card for entry 7061534
Preview
| Coordinates | 7061534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H18 Cd N4 O7 |
|---|---|
| Calculated formula | C27 H18 Cd N4 O7 |
| Title of publication | Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore |
| Authors of publication | Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 24 |
| Pages of publication | 11835 - 11839 |
| a | 8.5338 ± 0.0003 Å |
| b | 11.7951 ± 0.0004 Å |
| c | 12.6718 ± 0.0004 Å |
| α | 72.454 ± 0.003° |
| β | 71.768 ± 0.003° |
| γ | 86.42 ± 0.003° |
| Cell volume | 1154.39 ± 0.07 Å3 |
| Cell temperature | 170 ± 0.12 K |
| Ambient diffraction temperature | 170 ± 0.12 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0247 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0485 |
| Weighted residual factors for all reflections included in the refinement | 0.0494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276637 (current) | 2022-07-06 | cif/ Updating files of 7061532, 7061533, 7061534, 7061535, 7061536 Original log message: Adding full bibliography for 7061532--7061536.cif. |
7061534.cif |
| 275602 | 2022-05-22 | cif/ Adding structures of 7061532, 7061533, 7061534, 7061535, 7061536 via cif-deposit CGI script. |
7061534.cif |
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Users of the data should acknowledge the original authors of the
structural data.