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Information card for entry 4132557
Preview
| Coordinates | 4132557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H32 Cl4 Ir N3 O S2 |
|---|---|
| Calculated formula | C39 H32 Cl4 Ir N3 O 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 | 12.9276 ± 0.0005 Å |
| b | 24.1615 ± 0.001 Å |
| c | 13.3586 ± 0.0005 Å |
| α | 90° |
| β | 116.226 ± 0.0004° |
| γ | 90° |
| Cell volume | 3743 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242518 (current) | 2019-11-26 | cif/ Adding structures of 4132556, 4132557, 4132558 via cif-deposit CGI script. |
4132557.cif |
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Users of the data should acknowledge the original authors of the
structural data.