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Information card for entry 1565059
Preview
| Coordinates | 1565059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C79 H49 N2 O19 Th3 |
|---|---|
| Calculated formula | C79 H49 N2 O19 Th3 |
| Title of publication | A Cationic Thorium-Organic Framework with Triple Single-Crystal-to-Single-Crystal Transformation Peculiarities for Ultrasensitive Anion Recognition |
| Authors of publication | Li, Zi-Jian; Lei, Min; Bao, Hong-liang; Yu, Ju; Lu, Huangjie; Li, Yongxin; Zhang, Zhi-Hui; Guo, Xiaofeng; Qian, Yuan; He, Mingyang; Wang, Jian-Qiang; Liu, Wei; Lin, Jian |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 42.013 ± 0.002 Å |
| b | 25.8483 ± 0.0014 Å |
| c | 26.0312 ± 0.0014 Å |
| α | 90° |
| β | 120.728 ± 0.002° |
| γ | 90° |
| Cell volume | 24300 ± 2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1368 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270108 (current) | 2021-10-29 | cif/ Adding structures of 1565058, 1565059, 1565060, 1565061 via cif-deposit CGI script. |
1565059.cif |
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Users of the data should acknowledge the original authors of the
structural data.