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Information card for entry 7202505
Preview
| Coordinates | 7202505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H31 Ir N2 O2 |
|---|---|
| Calculated formula | C27 H31 Ir N2 O2 |
| SMILES | [Ir]123([O]=C(C)C=C(O1)C)([n]1cccc4CCCC(=C2C)c14)[n]1cccc2CCCC(=C3C)c12 |
| Title of publication | Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control |
| Authors of publication | Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2007 |
| Journal volume | 17 |
| Journal issue | 9 |
| Pages of publication | 841 |
| a | 9.89 ± 0.01 Å |
| b | 11.24 ± 0.01 Å |
| c | 11.79 ± 0.01 Å |
| α | 68.15 ± 0.03° |
| β | 87.5 ± 0.04° |
| γ | 70.81 ± 0.03° |
| Cell volume | 1144.2 ± 1.9 Å3 |
| Cell temperature | 93.2 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 significantly intense reflections | 0.0205 |
| Weighted residual factors for all reflections included in the refinement | 0.0513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7202505.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202505.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202505.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202505.cif |
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