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Information card for entry 7706795
Preview
| Coordinates | 7706795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H45 B Cu F4 N3 O P2 |
|---|---|
| Calculated formula | C49 H45 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)C(C)(C)C.[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 | 9.8241 ± 0.0004 Å |
| b | 13.1611 ± 0.0005 Å |
| c | 18.4228 ± 0.0006 Å |
| α | 96.354 ± 0.002° |
| β | 97.197 ± 0.002° |
| γ | 103.994 ± 0.001° |
| Cell volume | 2268.37 ± 0.15 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 199.99 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
7706795.cif |
| 264904 | 2021-05-05 | cif/ Updating files of 7706795, 7706796, 7706797 Original log message: Adding full bibliography for 7706795--7706797.cif. |
7706795.cif |
| 262902 | 2021-03-09 | cif/ Adding structures of 7706795, 7706796, 7706797 via cif-deposit CGI script. |
7706795.cif |
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Users of the data should acknowledge the original authors of the
structural data.