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Information card for entry 7721101
Preview
| Coordinates | 7721101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cage |
|---|---|
| Formula | C348.5 H478.5 Cl8 Fe4 N69.5 O81.5 |
| Calculated formula | C216 H156 Cl4 Fe4 N52 O28 |
| Title of publication | A Dye-loaded Fe4L4 Cage for Efficient Photocatalytic C(sp3)-H Activation |
| Authors of publication | Zhang, Junhao; Shi, Youpeng; Wu, Yuchen; Yang, Fengyu; Jing, Xu; Duan, Chunying |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 61.956 ± 0.003 Å |
| b | 43.506 ± 0.002 Å |
| c | 46.899 ± 0.004 Å |
| α | 90° |
| β | 125.466 ± 0.0013° |
| γ | 90° |
| Cell volume | 102960 ± 11 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.164 |
| Residual factor for significantly intense reflections | 0.1256 |
| Weighted residual factors for significantly intense reflections | 0.2262 |
| Weighted residual factors for all reflections included in the refinement | 0.2436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306223 (current) | 2026-06-05 | cif/ Adding structures of 7721101 via cif-deposit CGI script. |
7721101.cif |
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