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Information card for entry 7243742
Preview
| Coordinates | 7243742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H62 Cl6 F6 Ir N6 O4 P |
|---|---|
| Calculated formula | C54 H62 Cl6 F6 Ir N6 O4 P |
| Title of publication | Study of a phosphorescent cationic iridium(III) complex displaying blue shift in crystals |
| Authors of publication | Martínez-Vollbert, Emiliano; Philouze, Christian; Gautier-Luneau, Isabelle; Moreau, Yohann; Lanoë, Pierre-Henri; Loiseau, Frederique |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 19.554 ± 0.004 Å |
| b | 22.055 ± 0.004 Å |
| c | 15.394 ± 0.003 Å |
| α | 90° |
| β | 117.07 ± 0.03° |
| γ | 90° |
| Cell volume | 5912 ± 3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 8 |
| 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269966 (current) | 2021-10-15 | cif/ Adding structures of 7243742 via cif-deposit CGI script. |
7243742.cif |
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Users of the data should acknowledge the original authors of the
structural data.