Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1567512
Preview
| Coordinates | 1567512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H24 Ir N3 |
|---|---|
| Calculated formula | C33 H24 Ir N3 |
| Title of publication | Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes |
| Authors of publication | Yu. Gitlina, Anastasia; Fadaei-Tirani, Farzaneh; Ruggi, Albert; Plaice, Carolina; Severin, Kay |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 9.72023 ± 0.00011 Å |
| b | 9.72023 ± 0.00011 Å |
| c | 30.5949 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2890.69 ± 0.07 Å3 |
| Cell temperature | 140 ± 0.1 K |
| Ambient diffraction temperature | 140 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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 |
|---|---|---|---|
| 277345 (current) | 2022-08-23 | cif/ Adding structures of 1567507, 1567508, 1567509, 1567510, 1567511, 1567512 via cif-deposit CGI script. |
1567512.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.