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Information card for entry 7046468
Preview
| Coordinates | 7046468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C77.25 H68.5 Cl2.5 F6 Ir N6 P |
|---|---|
| Calculated formula | C77.25 H68.5 Cl2.5 F6 Ir N6 P |
| Title of publication | An investigation on the second-order nonlinear optical response of cationic bipyridine or phenanthroline iridium(iii) complexes bearing cyclometallated 2-phenylpyridines with a triphenylamine substituent. |
| Authors of publication | Hierlinger, Claus; Cordes, David B.; Slawin, Alexandra M. Z.; Colombo, Alessia; Dragonetti, Claudia; Righetto, Stefania; Roberto, Dominique; Jacquemin, Denis; Zysman-Colman, Eli; Guerchais, Véronique |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 25 |
| Pages of publication | 8292 - 8300 |
| a | 12.508 ± 0.005 Å |
| b | 17.601 ± 0.008 Å |
| c | 18.137 ± 0.008 Å |
| α | 111.009 ± 0.008° |
| β | 102.642 ± 0.009° |
| γ | 90.125 ± 0.007° |
| Cell volume | 3623 ± 3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.2055 |
| Residual factor for significantly intense reflections | 0.0869 |
| Weighted residual factors for significantly intense reflections | 0.1685 |
| Weighted residual factors for all reflections included in the refinement | 0.2173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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