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Information card for entry 4088090
Preview
| Coordinates | 4088090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H31 Br F6 Ir N6 P |
|---|---|
| Calculated formula | C44 H31 Br F6 Ir N6 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 | 28.2267 ± 0.0012 Å |
| b | 13.2492 ± 0.0003 Å |
| c | 26.6858 ± 0.0009 Å |
| α | 90° |
| β | 104.771 ± 0.004° |
| γ | 90° |
| Cell volume | 9650.2 ± 0.6 Å3 |
| Cell temperature | 99.94 ± 0.17 K |
| Ambient diffraction temperature | 99.94 ± 0.17 K |
| Number of distinct elements | 7 |
| 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 | 0.1066 |
| Residual factor for significantly intense reflections | 0.0652 |
| Weighted residual factors for significantly intense reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.1735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| 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 |
|---|---|---|---|
| 237253 (current) | 2019-11-24 | cif/ Adding structures of 4088090 via cif-deposit CGI script. |
4088090.cif |
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Users of the data should acknowledge the original authors of the
structural data.