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Information card for entry 7054832
Preview
| Coordinates | 7054832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H24 F Ir N6 |
|---|---|
| Calculated formula | C35 H24 F Ir N6 |
| SMILES | c1cccc2c3n([Ir]45(c6ccccc6c6cccc[n]46)(c4ccccc4c4cccc[n]54)[n]12)nc(c1ccc(cc1)F)n3 |
| 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 | 13.163 ± 0.007 Å |
| b | 20.032 ± 0.011 Å |
| c | 23.737 ± 0.013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6259 ± 6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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. |
7054832.cif |
| 143733 | 2015-07-11 | cif/ Updating files of 7054830, 7054831, 7054832 Original log message: Adding full bibliography for 7054830--7054832.cif. |
7054832.cif |
| 135968 | 2015-05-09 | cif/ Adding structures of 7054830, 7054831, 7054832 via cif-deposit CGI script. |
7054832.cif |
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Users of the data should acknowledge the original authors of the
structural data.