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Information card for entry 7225215
Preview
| Coordinates | 7225215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ir-3a |
|---|---|
| Formula | C41 H27 F4 Ir N2 O4 |
| Calculated formula | C41 H27 F4 Ir N2 O4 |
| SMILES | [Ir]123(OC(=CC(=[O]1)C)C)([n]1c(c4c2cc(F)c(c4F)C(=O)c2ccccc2)cccc1)[n]1c(c2c3cc(F)c(c2F)C(=O)c2ccccc2)cccc1 |
| Title of publication | Novel bis- and tris-cyclometalated iridium(III) complexes bearing a benzoyl group on each fluorinated 2-phenylpyridinate ligand aimed at development of blue phosphorescent materials for OLED |
| Authors of publication | Okamura, Naoki; Nakamura, Taiyo; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Koseki, Shiro |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 41.393 ± 0.009 Å |
| b | 8.1687 ± 0.0014 Å |
| c | 23.774 ± 0.005 Å |
| α | 90° |
| β | 120.926 ± 0.002° |
| γ | 90° |
| Cell volume | 6896 ± 2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.0459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182903 (current) | 2016-05-12 | cif/ Adding structures of 7225215, 7225216 via cif-deposit CGI script. |
7225215.cif |
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