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Information card for entry 7133381
Preview
| Coordinates | 7133381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C184 H142 N18 Ni2 O12 |
|---|---|
| Calculated formula | C184 H142 N18 Ni2 O12 |
| Title of publication | A H<sub>2</sub>@C<sub>60</sub><sup>1</sup>H NMR probe for sensitively detecting the supramolecular interactions between a molecular tweezer and C<sub>60</sub>. |
| Authors of publication | He, Yixing; Yu, Zhi; Jiang, Yanzi; Zhu, Jinjie; Yao, Selina X.; Liang, Wenjie; Diederich, François; Saunders, Martin; Xu, Hai |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 66 |
| Pages of publication | 8716 - 8719 |
| a | 31.418 ± 0.002 Å |
| b | 40.637 ± 0.003 Å |
| c | 19.4953 ± 0.0012 Å |
| α | 90° |
| β | 117.411 ± 0.003° |
| γ | 90° |
| Cell volume | 22096 ± 3 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1704 |
| Residual factor for significantly intense reflections | 0.0986 |
| Weighted residual factors for significantly intense reflections | 0.2845 |
| Weighted residual factors for all reflections included in the refinement | 0.3413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294435 (current) | 2024-09-06 | cif/ Updating files of 7133381 Original log message: Adding full bibliography for 7133381.cif. |
7133381.cif |
| 293496 | 2024-07-23 | cif/ Adding structures of 7133381 via cif-deposit CGI script. |
7133381.cif |
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Users of the data should acknowledge the original authors of the
structural data.