Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7706905
Preview
| Coordinates | 7706905.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (N,N'-Ethylene-bis(salicylideneiminato))-(2,2,2-trifluoroethoxy)-cobalt(iii) 2,2,2-trifluoroethanol solvate |
|---|---|
| Formula | C22 H22 Co F9 N2 O5 |
| Calculated formula | C22 H22 Co F9 N2 O5 |
| Title of publication | Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation. |
| Authors of publication | Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 14 |
| Pages of publication | 4819 - 4829 |
| a | 9.3662 ± 0.0002 Å |
| b | 11.922 ± 0.0003 Å |
| c | 13.0281 ± 0.0002 Å |
| α | 105.961 ± 0.002° |
| β | 102.924 ± 0.001° |
| γ | 109.03 ± 0.002° |
| Cell volume | 1241.2 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706905.cif |
| 266066 | 2021-06-05 | cif/ Updating files of 7706901, 7706902, 7706903, 7706904, 7706905, 7706906, 7706907, 7706908, 7706909 Original log message: Adding full bibliography for 7706901--7706909.cif. |
7706905.cif |
| 263195 | 2021-03-20 | cif/ Adding structures of 7706901, 7706902, 7706903, 7706904, 7706905, 7706906, 7706907, 7706908, 7706909 via cif-deposit CGI script. |
7706905.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.