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Information card for entry 7063720
Preview
| Coordinates | 7063720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C127 H99 Cd4 N21 O16 S8 |
|---|---|
| Calculated formula | C112 H64 Cd4 N16 O16 S8 |
| Title of publication | Thiazolothiazole-Based Metal–Organic Frameworks for Photocatalytic Coupling of Benzylamine and Degradation of Organic Dyes |
| Authors of publication | Wang, Junwen; Li, Junfei; Xu, Jing-Wen; Feng, Hui-Jun; Liu, Qiao-Yun |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| a | 17.2315 ± 0.0009 Å |
| b | 24.0207 ± 0.0013 Å |
| c | 17.5271 ± 0.0009 Å |
| α | 90° |
| β | 108.105 ± 0.003° |
| γ | 90° |
| Cell volume | 6895.5 ± 0.6 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1289 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.1959 |
| Weighted residual factors for all reflections included in the refinement | 0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.889 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298633 (current) | 2025-03-28 | cif/ Adding structures of 7063718, 7063719, 7063720 via cif-deposit CGI script. |
7063720.cif |
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Users of the data should acknowledge the original authors of the
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