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Information card for entry 1566953
Preview
| Coordinates | 1566953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C249 H289 N25 O80 Zr6 |
|---|---|
| Calculated formula | C210 H127.999 N12 O32 Zr6 |
| 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 | 38.4865 ± 0.0007 Å |
| b | 38.4865 ± 0.0007 Å |
| c | 38.4865 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 57006.6 ± 1.8 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 202 |
| Hermann-Mauguin space group symbol | F m -3 |
| Hall space group symbol | -F 2 2 3 |
| Residual factor for all reflections | 0.1457 |
| Residual factor for significantly intense reflections | 0.1352 |
| Weighted residual factors for significantly intense reflections | 0.3408 |
| Weighted residual factors for all reflections included in the refinement | 0.3661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.679 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1566953.cif |
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Users of the data should acknowledge the original authors of the
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