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Information card for entry 7237409
Preview
| Coordinates | 7237409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H40 Cu F6 N2 O2 P3 |
|---|---|
| Calculated formula | C48 H40 Cu F6 N2 O2 P3 |
| Title of publication | [Cu(P^P)(N^N)][PF6] compounds with bis(phosphane) and 6-alkoxy, 6-alkylthio, 6-phenyloxy and 6-phenylthio-substituted 2,2′-bipyridine ligands for light-emitting electrochemical cells |
| Authors of publication | Alkan-Zambada, Murat; Keller, Sarah; Martínez-Sarti, Laura; Prescimone, Alessandro; Junquera-Hernández, José M.; Constable, Edwin C.; Bolink, Henk J.; Sessolo, Michele; Ortí, Enrique; Housecroft, Catherine E. |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 31 |
| Pages of publication | 8460 |
| a | 16.3593 ± 0.001 Å |
| b | 20.1565 ± 0.0012 Å |
| c | 26.5917 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8768.5 ± 0.9 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for all reflections | 0.0991 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9818 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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