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Information card for entry 7706797
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| Coordinates | 7706797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H41 B Cu F4 N3 O P2 |
|---|---|
| Calculated formula | C51 H41 B Cu F4 N3 O P2 |
| SMILES | [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1c(C)cccc1c1[n]2[nH]c(c1)c1ccccc1.[B](F)(F)(F)[F-] |
| Title of publication | Bright bluish-green emitting Cu(I) complexes exhibiting efficient thermally activated delayed fluorescence. |
| Authors of publication | Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 5171 - 5176 |
| a | 9.6727 ± 0.0004 Å |
| b | 16.603 ± 0.0005 Å |
| c | 14.007 ± 0.0006 Å |
| α | 90° |
| β | 97.695 ± 0.001° |
| γ | 90° |
| Cell volume | 2229.21 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.02 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706797.cif |
| 264904 | 2021-05-05 | cif/ Updating files of 7706795, 7706796, 7706797 Original log message: Adding full bibliography for 7706795--7706797.cif. |
7706797.cif |
| 262902 | 2021-03-09 | cif/ Adding structures of 7706795, 7706796, 7706797 via cif-deposit CGI script. |
7706797.cif |
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Users of the data should acknowledge the original authors of the
structural data.