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Information card for entry 7240739
Preview
| Coordinates | 7240739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54.33 H50.66 Cl4.66 Cu F6 N2 O P3 |
|---|---|
| Calculated formula | C52 H46 Cu F6 N2 O P3 |
| SMILES | [Cu]12([P](c3ccccc3)(c3cccc4c3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3C4(C)C)c1ccccc1)[n]1c(cc(C)c(c1C)C)c1[n]2cccc1.[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 | 11.8055 ± 0.0003 Å |
| b | 15.0529 ± 0.0004 Å |
| c | 18.6132 ± 0.0005 Å |
| α | 113.589 ± 0.002° |
| β | 92.96 ± 0.002° |
| γ | 108.444 ± 0.002° |
| Cell volume | 2814.51 ± 0.15 Å3 |
| Cell temperature | 130 K |
| Ambient diffraction temperature | 130 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 | 0.1253 |
| Residual factor for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections | 0.3222 |
| Weighted residual factors for significantly intense reflections | 0.2929 |
| Weighted residual factors for all reflections included in the refinement | 0.3106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0878 |
| Diffraction radiation wavelength | 1.34143 Å |
| Diffraction radiation type | GaKα |
| 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. |
7240739.cif |
| 253198 | 2020-06-17 | cif/ Adding structures of 7240738, 7240739, 7240740, 7240741, 7240742, 7240743, 7240744 via cif-deposit CGI script. |
7240739.cif |
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Users of the data should acknowledge the original authors of the
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