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Information card for entry 7240738
Preview
| Coordinates | 7240738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H40 Cu F6 N2 O P3 |
|---|---|
| Calculated formula | C48 H40 Cu F6 N2 O P3 |
| SMILES | [Cu]12([P](c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)(c1ccccc1)c1ccccc1)[n]1c(c3[n]2cc(cc3)C)ccc(c1)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 | 18.554 ± 0.002 Å |
| b | 11.4743 ± 0.0012 Å |
| c | 22.167 ± 0.002 Å |
| α | 90° |
| β | 113.88 ± 0.004° |
| γ | 90° |
| Cell volume | 4315.2 ± 0.8 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0287 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for all reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9127 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240738.cif |
| 258139 | 2020-10-06 | cif/ Updating files of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 Original log message: Adding full bibliography for 7240738--7240744.cif. |
7240738.cif |
| 253198 | 2020-06-17 | cif/ Adding structures of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 via cif-deposit CGI script. |
7240738.cif |
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Users of the data should acknowledge the original authors of the
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