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Information card for entry 4124550
Preview
| Coordinates | 4124550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 2 benzene-1,3,5-tricarboxylate di-anion_ 12 H2O |
|---|---|
| Formula | C56 H66 N10 O24 |
| Calculated formula | C56 H42 N10 O24 |
| Title of publication | Multicomponent Self-Assembled Metal-Organic [3]Rotaxanes. |
| Authors of publication | Yang, Yu-Dong; Fan, Chuan-Cai; Rambo, Brett M.; Gong, Han-Yuan; Xu, Li-Jin; Xiang, Jun-Feng; Sessler, Jonathan L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 40 |
| Pages of publication | 12966 - 12976 |
| a | 7.1764 ± 0.0014 Å |
| b | 13.154 ± 0.003 Å |
| c | 15.913 ± 0.003 Å |
| α | 85.06 ± 0.03° |
| β | 88.03 ± 0.03° |
| γ | 76.7 ± 0.03° |
| Cell volume | 1456.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1787 |
| Residual factor for significantly intense reflections | 0.0975 |
| Weighted residual factors for significantly intense reflections | 0.2438 |
| Weighted residual factors for all reflections included in the refinement | 0.3296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4124550.cif |
| 170078 | 2015-11-06 | cif/ Updating files of 4124549, 4124550, 4124551, 4124552, 4124553 Original log message: Adding full bibliography for 4124549--4124553.cif. |
4124550.cif |
| 159524 | 2015-10-02 | cif/ Adding structures of 4124550 via cif-deposit CGI script. |
4124550.cif |
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Users of the data should acknowledge the original authors of the
structural data.