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Information card for entry 1566952
Preview
| Coordinates | 1566952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H34 N2 O6 S2 |
|---|---|
| Calculated formula | C39 H34 N2 O6 S2 |
| Title of publication | Docking rings in a solid: reversible assembling of pseudorotaxanes inside a zirconium metal–organic framework |
| Authors of publication | Li, Xia; Xie, Jialin; Du, Zhenglin; Jiang, Long; Li, Guangqin; Ling, Sanliang; Zhu, Kelong |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 9.9015 ± 0.0003 Å |
| b | 11.8523 ± 0.0004 Å |
| c | 14.5872 ± 0.0004 Å |
| α | 93.222 ± 0.002° |
| β | 99.421 ± 0.002° |
| γ | 100.578 ± 0.001° |
| Cell volume | 1653.52 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.0893 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.1626 |
| Weighted residual factors for all reflections included in the refinement | 0.1751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275345 (current) | 2022-05-12 | cif/ Adding structures of 1566952, 1566953 via cif-deposit CGI script. |
1566952.cif |
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Users of the data should acknowledge the original authors of the
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