Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7125611
Preview
| Coordinates | 7125611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H112 N8 Ni2 O3 |
|---|---|
| Calculated formula | C75 H112 N8 Ni2 O3 |
| Title of publication | Unprecedented redox-driven ligand ejection in nickel(II)-diiminosemiquinonate radical complexes. |
| Authors of publication | Leconte, N.; Ciccione, J.; Gellon, G.; Philouze, C.; Thomas, F. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 1918 - 1920 |
| a | 32.632 ± 0.007 Å |
| b | 8.9933 ± 0.0018 Å |
| c | 24.821 ± 0.005 Å |
| α | 90° |
| β | 94.39 ± 0.03° |
| γ | 90° |
| Cell volume | 7263 ± 3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| 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 | 0.0889 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| 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 |
|---|---|---|---|
| 244393 (current) | 2019-11-28 | cif/ Adding structures of 7125611, 7125612 via cif-deposit CGI script. |
7125611.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.