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Information card for entry 7707857
Preview
| Coordinates | 7707857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane, methyl(phenyl)di(pyridin-2-yl)phosphonium] hexafluorophosphate |
|---|---|
| Formula | C53 H44 Cu F12 N2 O P5 |
| Calculated formula | C53 H44 Cu F12 N2 O P5 |
| SMILES | [Cu]12([P](c3ccccc3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)[n]1c([P+](c3[n]2cccc3)(c2ccccc2)C)cccc1.[P](F)(F)(F)(F)(F)[F-].[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 | 12.1423 ± 0.0011 Å |
| b | 12.7994 ± 0.0011 Å |
| c | 21.433 ± 0.002 Å |
| α | 73.615 ± 0.004° |
| β | 87.899 ± 0.004° |
| γ | 63.33 ± 0.003° |
| Cell volume | 2839.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.1261 |
| Residual factor for significantly intense reflections | 0.0958 |
| Weighted residual factors for significantly intense reflections | 0.1905 |
| Weighted residual factors for all reflections included in the refinement | 0.2041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| 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. |
7707857.cif |
| 267687 | 2021-07-22 | cif/ Adding structures of 7707855, 7707856, 7707857, 7707858, 7707859, 7707860, 7707861 via cif-deposit CGI script. |
7707857.cif |
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