Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088089
Preview
| Coordinates | 4088089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H38 Br2 F6 Ir N8 P |
|---|---|
| Calculated formula | C56 H38 Br2 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 | 15.2882 ± 0.0003 Å |
| b | 19.3171 ± 0.0003 Å |
| c | 20.026 ± 0.0004 Å |
| α | 85.8675 ± 0.0015° |
| β | 83.4417 ± 0.0017° |
| γ | 81.9153 ± 0.0015° |
| Cell volume | 5807.62 ± 0.19 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1509 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237252 (current) | 2019-11-24 | cif/ Adding structures of 4088089 via cif-deposit CGI script. |
4088089.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.