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Information card for entry 7240744
Preview
| Coordinates | 7240744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H57 Cu F6 N2 O2.5 P3 |
|---|---|
| Calculated formula | C49 H42 Cu F6 N2 O P3 |
| SMILES | [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1c(C)c(c(cc1c1[n]2cccc1)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | The shiny side of copper: bringing copper(i) light-emitting electrochemical cells closer to application |
| Authors of publication | Keller, Sarah; Prescimone, Alessandro; La Placa, Maria-Grazia; Junquera-Hernández, José M.; Bolink, Henk J.; Constable, Edwin C.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 38 |
| Pages of publication | 22631 - 22644 |
| a | 9.7384 ± 0.0007 Å |
| b | 14.1543 ± 0.001 Å |
| c | 18.9271 ± 0.0013 Å |
| α | 74.958 ± 0.002° |
| β | 84.595 ± 0.002° |
| γ | 87.789 ± 0.003° |
| Cell volume | 2508.1 ± 0.3 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections | 0.1501 |
| Weighted residual factors for significantly intense reflections | 0.1441 |
| Weighted residual factors for all reflections included in the refinement | 0.1498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9723 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258139 (current) | 2020-10-06 | cif/ Updating files of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 Original log message: Adding full bibliography for 7240738--7240744.cif. |
7240744.cif |
| 253198 | 2020-06-17 | cif/ Adding structures of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 via cif-deposit CGI script. |
7240744.cif |
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Users of the data should acknowledge the original authors of the
structural data.