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Information card for entry 1550586
Preview
| Coordinates | 1550586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H30 F6 Ir N5 S2 |
|---|---|
| Calculated formula | C37 H29.999 F6 Ir N5 S2 |
| Title of publication | Rapid room temperature synthesis of red iridium(III) complexes containing four-membered Ir-S-C-S chelating ring for highly efficient OLEDs with EQE over 30% |
| Authors of publication | Lu, Guang-Zhao; Su, ning; Yang, Huiqing; Zhu, Qi; Zhang, Wen-Wei; Zheng, Youxuan; Zhou, Liang; Zuo, Jing-Lin; Chen, Zhao-Xu; Zhang, Hongjie |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 13.9038 ± 0.0013 Å |
| b | 34.924 ± 0.003 Å |
| c | 15.0724 ± 0.0015 Å |
| α | 90° |
| β | 92.347 ± 0.002° |
| γ | 90° |
| Cell volume | 7312.7 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213599 (current) | 2019-02-12 | cif/ Adding structures of 1550585, 1550586 via cif-deposit CGI script. |
1550586.cif |
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