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Information card for entry 2243351
Preview
| Coordinates | 2243351.cif |
|---|---|
| Structure factors | 2243351.hkl |
| Original IUCr paper | HTML |
| Chemical name | {μ-<i>N</i>,<i>N</i>'-Bis[3,5-bis(trifluoromethyl)phenyl]oxamidato}bis(bis{2-[4-(2,4,6-trimethylphenyl)pyridin-2-yl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>'}iridium)‒chlorobenzene‒pentane (1/2.3/0.4) |
|---|---|
| Formula | C113.8 H94.3 Cl2.3 F12 Ir2 N6 O2 |
| Calculated formula | C113.8 H91.2 Cl2.3 F12 Ir2 N6 O2 |
| Title of publication | Phosphorescent mono- and diiridium(III) complexes cyclometalated by fluorenyl- or phenyl-pyridino ligands with bulky substituents, as prospective OLED dopants |
| Authors of publication | M'hamedi, Ahmed; Batsanov, Andrei S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| Pages of publication | 392 - 399 |
| a | 11.8734 ± 0.0005 Å |
| b | 14.2267 ± 0.0006 Å |
| c | 16.6076 ± 0.0007 Å |
| α | 110.386 ± 0.002° |
| β | 106.524 ± 0.002° |
| γ | 96.303 ± 0.002° |
| Cell volume | 2452 ± 0.19 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250394 (current) | 2020-04-06 | cif/ hkl/ Adding structures of 2243348, 2243349, 2243350, 2243351 via cif-deposit CGI script. |
2243351.cif 2243351.hkl |
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Users of the data should acknowledge the original authors of the
structural data.