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Information card for entry 4132558
Preview
| Coordinates | 4132558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H37 Cl2 Ir N4 S2 |
|---|---|
| Calculated formula | C40 H37 Cl2 Ir N4 S2 |
| Title of publication | Highly Efficient Red-Emitting Bis-Cyclometalated Iridium Complexes. |
| Authors of publication | Lai, Po-Ni; Brysacz, Caroline H.; Alam, Md Kamrul; Ayoub, Nicholas A.; Gray, Thomas G.; Bao, Jiming; Teets, Thomas S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 32 |
| Pages of publication | 10198 - 10207 |
| a | 13.2791 ± 0.0008 Å |
| b | 21.2737 ± 0.0013 Å |
| c | 13.2932 ± 0.0013 Å |
| α | 90° |
| β | 102.215 ± 0.0006° |
| γ | 90° |
| Cell volume | 3670.3 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242518 (current) | 2019-11-26 | cif/ Adding structures of 4132556, 4132557, 4132558 via cif-deposit CGI script. |
4132558.cif |
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Users of the data should acknowledge the original authors of the
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