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Information card for entry 4129273
Preview
| Coordinates | 4129273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H32 Cu2 I2 N2 P2 |
|---|---|
| Calculated formula | C36 H32 Cu2 I2 N2 P2 |
| SMILES | I[Cu]12[Cu](I)([P](c3[n]2c(ccc3)C)(c2ccccc2)c2ccccc2)[n]2c([P]1(c1ccccc1)c1ccccc1)cccc2C |
| Title of publication | Highly efficient luminescence of Cu(I) compounds: thermally activated delayed fluorescence combined with short-lived phosphorescence. |
| Authors of publication | Hofbeck, Thomas; Monkowius, Uwe; Yersin, Hartmut |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 1 |
| Pages of publication | 399 - 404 |
| a | 17.7467 ± 0.0005 Å |
| b | 10.0959 ± 0.0002 Å |
| c | 43.4589 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7786.5 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| 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 |
|---|---|---|---|
| 240028 (current) | 2019-11-25 | cif/ Adding structures of 4129273 via cif-deposit CGI script. |
4129273.cif |
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