Information card for entry 7235978
| Formula |
C40 H36 Ir N7 O2 S2 |
| Calculated formula |
C40 H36 Ir N7 O2 S2 |
| Title of publication |
Novel phosphorescent iridium(iii) complexes containing 2-thienyl quinazoline ligands: synthesis, photophysical properties and theoretical calculations |
| Authors of publication |
Mei, Qunbo; Weng, Jiena; Xu, Zhijie; Tong, Bihai; Hua, Qingfang; Shi, Yujie; Song, Juan; Huang, Wei |
| Journal of publication |
RSC Advances |
| Year of publication |
2015 |
| Journal volume |
5 |
| Journal issue |
118 |
| Pages of publication |
97841 |
| a |
9.324 ± 0.005 Å |
| b |
12.9 ± 0.007 Å |
| c |
18.496 ± 0.01 Å |
| α |
106.65 ± 0.008° |
| β |
94.335 ± 0.008° |
| γ |
91.856 ± 0.007° |
| Cell volume |
2122 ± 2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0388 |
| Residual factor for significantly intense reflections |
0.0307 |
| Weighted residual factors for significantly intense reflections |
0.0633 |
| Weighted residual factors for all reflections included in the refinement |
0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.965 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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