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Information card for entry 7129946
Preview
| Coordinates | 7129946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H108 N6 O20 Zn2 |
|---|---|
| Calculated formula | C80 H108 N6 O20 Zn2 |
| Title of publication | 2D and 3D metal-organic frameworks constructed with a mechanically rigidified [3]rotaxane ligand. |
| Authors of publication | Li, Xia; Xie, Jialin; Du, Zhenglin; Yu, Ruiyang; Jia, Jianhua; Chen, Zhong; Zhu, Kelong |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2022 |
| a | 14.5555 ± 0.0008 Å |
| b | 14.5616 ± 0.0008 Å |
| c | 19.0686 ± 0.001 Å |
| α | 90° |
| β | 93.536 ± 0.002° |
| γ | 90° |
| Cell volume | 4033.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1308 |
| Residual factor for significantly intense reflections | 0.1022 |
| Weighted residual factors for significantly intense reflections | 0.2897 |
| Weighted residual factors for all reflections included in the refinement | 0.3228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
| Diffraction radiation wavelength | 1.34138 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274434 (current) | 2022-04-09 | cif/ Adding structures of 7129946, 7129947, 7129948 via cif-deposit CGI script. |
7129946.cif |
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