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Information card for entry 7707856
Preview
| Coordinates | 7707856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl] -diphenylphosphane, 2,2'-di(pyridin-2-yl)sulfane] hexafluorophosphate |
|---|---|
| Formula | C47 H38 Cl2 Cu F6 N2 O P3 S |
| Calculated formula | C47 H38 Cl2 Cu F6 N2 O P3 S |
| SMILES | [Cu]12([P](c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)(c1ccccc1)c1ccccc1)[n]1c(Sc3[n]2cccc3)cccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand. |
| Authors of publication | Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 32 |
| Pages of publication | 11049 - 11060 |
| a | 12.1153 ± 0.0007 Å |
| b | 12.4627 ± 0.0007 Å |
| c | 16.4049 ± 0.0009 Å |
| α | 75.887 ± 0.002° |
| β | 89.566 ± 0.002° |
| γ | 68.532 ± 0.002° |
| Cell volume | 2226.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0816 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268745 (current) | 2021-09-06 | cif/ Updating files of 7707855, 7707856, 7707857, 7707858, 7707859, 7707860, 7707861 Original log message: Adding full bibliography for 7707855--7707861.cif. |
7707856.cif |
| 267687 | 2021-07-22 | cif/ Adding structures of 7707855, 7707856, 7707857, 7707858, 7707859, 7707860, 7707861 via cif-deposit CGI script. |
7707856.cif |
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