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Information card for entry 7202145
Preview
| Coordinates | 7202145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H24 F9 Ir N6 O |
|---|---|
| Calculated formula | C39 H24 F9 Ir N6 O |
| SMILES | [Ir]123([n]4ccccc4c4n1nnc4c1c(F)c(F)c(F)c(F)c1F)([n]1ccccc1c1c(F)cc(F)cc21)[n]1ccccc1c1c(F)cc(F)cc31.O1CCCC1 |
| Title of publication | 1,2,3-Triazolyl-pyridine derivatives as chelating ligands for blue iridium(iii) complexes. Photophysics and electroluminescent devices |
| Authors of publication | Orselli, Enrico; Albuquerque, Rodrigo Q.; Fransen, P. Michel; Fröhlich, Roland; Janssen, Henk M.; De Cola, Luisa |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2008 |
| Journal volume | 18 |
| Journal issue | 38 |
| Pages of publication | 4579 |
| a | 25.9847 ± 0.0002 Å |
| b | 16.2224 ± 0.0002 Å |
| c | 18.3429 ± 0.0002 Å |
| α | 90° |
| β | 116.537 ± 0.001° |
| γ | 90° |
| Cell volume | 6917.55 ± 0.14 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0388 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180352 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/21. |
7202145.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202145.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202145.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202145.cif |
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