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Information card for entry 4088091
Preview
| Coordinates | 4088091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H34 F6 Ir N8 P |
|---|---|
| Calculated formula | C44 H34 F6 Ir N8 P |
| Title of publication | Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes |
| Authors of publication | Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 23 |
| Pages of publication | 5513 |
| a | 17.166 ± 0.0002 Å |
| b | 21.8245 ± 0.0002 Å |
| c | 20.9858 ± 0.0004 Å |
| α | 90° |
| β | 93.194 ± 0.001° |
| γ | 90° |
| Cell volume | 7849.89 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0359 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| 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 |
|---|---|---|---|
| 237255 (current) | 2019-11-24 | cif/ Adding structures of 4088091 via cif-deposit CGI script. |
4088091.cif |
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Users of the data should acknowledge the original authors of the
structural data.