Information card for entry 7701263
| Formula |
C51 H37 Ir N4 O2 |
| Calculated formula |
C51 H37 Ir N4 O2 |
| Title of publication |
Synthesis, X-ray structure, photophysical properties, and theoretical studies of six-membered cyclometalated iridium(iii) complexes: revisiting Ir(pnbi)<sub>2</sub>(acac). |
| Authors of publication |
Yamada, Kie; Mori, Hirotoshi; Sugaya, Tomoaki; Tadokoro, Makoto; Maeba, Junichi; Nozaki, Koichi; Haga, Masa-Aki |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2019 |
| Journal volume |
48 |
| Journal issue |
40 |
| Pages of publication |
15212 - 15219 |
| a |
20.49 ± 0.005 Å |
| b |
13.025 ± 0.003 Å |
| c |
15.824 ± 0.004 Å |
| α |
90° |
| β |
105.93 ± 0.003° |
| γ |
90° |
| Cell volume |
4061 ± 1.7 Å3 |
| Cell temperature |
93 K |
| Ambient diffraction temperature |
93 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for significantly intense reflections |
0.0913 |
| Weighted residual factors for all reflections included in the refinement |
0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.14 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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