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Information card for entry 4135044
Preview
| Coordinates | 4135044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C253 H161.5 B22 F48 N40.5 O32 S26 Zn5 |
|---|---|
| Calculated formula | C242.2 H160 B24 F21.6 N36.1 O14.4 S17.2 Zn5 |
| Title of publication | An <i>S</i><sub>10</sub>-symmetric 5-fold Interlocked [2]Catenane. |
| Authors of publication | Ronson, Tanya K.; Wang, Yujia; Baldridge, Kim; Siegel, Jay S.; Nitschke, Jonathan R. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 24.5549 ± 0.0002 Å |
| b | 26.508 ± 0.0003 Å |
| c | 47.3015 ± 0.0005 Å |
| α | 90° |
| β | 93.073 ± 0.001° |
| γ | 90° |
| Cell volume | 30744.3 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1878 |
| Residual factor for significantly intense reflections | 0.1263 |
| Weighted residual factors for significantly intense reflections | 0.3435 |
| Weighted residual factors for all reflections included in the refinement | 0.3866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252513 (current) | 2020-06-02 | cif/ Adding structures of 4135044 via cif-deposit CGI script. |
4135044.cif |
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