Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708594
Preview
| Coordinates | 7708594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H53 B2 F8 Ir N6 O3 |
|---|---|
| Calculated formula | C46 H53 B2 F8 Ir N6 O3 |
| Title of publication | Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores |
| Authors of publication | Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 8.5882 ± 0.0001 Å |
| b | 13.3127 ± 0.0002 Å |
| c | 20.292 ± 0.0003 Å |
| α | 90° |
| β | 90.672 ± 0.001° |
| γ | 90° |
| Cell volume | 2319.87 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270043 (current) | 2021-10-20 | cif/ Adding structures of 7708594, 7708595, 7708596 via cif-deposit CGI script. |
7708594.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.