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Information card for entry 7054831
Preview
| Coordinates | 7054831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 F3 Ir N6 |
|---|---|
| Calculated formula | C30 H20 F3 Ir N6 |
| SMILES | [Ir]123(c4c(c5cccc[n]25)cccc4)(c2ccccc2c2cccc[n]32)[n]2ccccc2c2n1nc(C(F)(F)F)n2 |
| Title of publication | Synthesis and photoelectric performances of blue-green emitting iridium phenylpyridine complexes using N,N′-heteroaromatic ancillary ligands |
| Authors of publication | Huixia, Xu; Peng, Sun; Dan, Zhao; Tingting, Yang; Yuying, Hao; Hua, Wang; Heping, Shi; Bingshe, Xu |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 7 |
| Pages of publication | 5293 |
| a | 9.307 ± 0.007 Å |
| b | 12.792 ± 0.009 Å |
| c | 13.798 ± 0.01 Å |
| α | 96.684 ± 0.007° |
| β | 98.707 ± 0.007° |
| γ | 109.386 ± 0.006° |
| Cell volume | 1507.1 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7054831.cif |
| 143733 | 2015-07-11 | cif/ Updating files of 7054830, 7054831, 7054832 Original log message: Adding full bibliography for 7054830--7054832.cif. |
7054831.cif |
| 135968 | 2015-05-09 | cif/ Adding structures of 7054830, 7054831, 7054832 via cif-deposit CGI script. |
7054831.cif |
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Users of the data should acknowledge the original authors of the
structural data.