Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7706909
Preview
| Coordinates | 7706909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (N,N'-Ethylene-bis(salicylideneiminato))-acetonyl-cobalt(iii)-aqua |
|---|---|
| Formula | C19 H21 Co N2 O4 |
| Calculated formula | C19 H21 Co N2 O4 |
| SMILES | [Co]123(Oc4ccccc4C=[N]2CC[N]3=Cc2ccccc2O1)([OH2])CC(=O)C |
| 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 | 9.143 ± 0.0008 Å |
| b | 9.8383 ± 0.0008 Å |
| c | 11.1689 ± 0.0007 Å |
| α | 115.062 ± 0.007° |
| β | 100.862 ± 0.007° |
| γ | 93.188 ± 0.008° |
| Cell volume | 883.35 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.184 |
| Residual factor for significantly intense reflections | 0.0993 |
| Weighted residual factors for significantly intense reflections | 0.2502 |
| Weighted residual factors for all reflections included in the refinement | 0.3481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266066 (current) | 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. |
7706909.cif |
| 263195 | 2021-03-20 | cif/ Adding structures of 7706901, 7706902, 7706903, 7706904, 7706905, 7706906, 7706907, 7706908, 7706909 via cif-deposit CGI script. |
7706909.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.