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Information card for entry 1571516
Preview
| Coordinates | 1571516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H27 N3 O11 S4 Zn2 |
|---|---|
| Calculated formula | C39 H27 N3 O11 S4 Zn2 |
| Title of publication | Thermal control over phosphorescence or thermally activated delayed fluorescence in a metal-organic framework. |
| Authors of publication | Sun, Huili; Zhang, Qiangsheng; Meng, Liuli; Wang, Zhonghao; Fan, Yanan; Mayor, Marcel; Pan, Mei; Su, Cheng-Yong |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 23 |
| Pages of publication | 8905 - 8912 |
| a | 5.924 ± 0.0003 Å |
| b | 18.3064 ± 0.0013 Å |
| c | 18.6204 ± 0.0012 Å |
| α | 106.425 ± 0.006° |
| β | 98.852 ± 0.005° |
| γ | 92.567 ± 0.005° |
| Cell volume | 1905.5 ± 0.2 Å3 |
| Cell temperature | 240 ± 0.1 K |
| Ambient diffraction temperature | 240 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292921 (current) | 2024-07-05 | cif/ Updating files of 1571516 Original log message: Adding full bibliography for 1571516.cif. |
1571516.cif |
| 291435 | 2024-05-02 | cif/ Adding structures of 1571516 via cif-deposit CGI script. |
1571516.cif |
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Users of the data should acknowledge the original authors of the
structural data.