Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7709606
Preview
Coordinates | 7709606.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H22 Cl2 Co N6 O4 S2 |
---|---|
Calculated formula | C29 H22 Cl2 Co N6 O4 S2 |
Title of publication | Field-induced mononuclear cobalt(II) single-molecule magnet (SMM) based on a benzothiadiazole-ortho-vanillin ligand |
Authors of publication | Plyuta, Nataliya; Petrusenko, Svitlana R.; Kokozay, Vladimir; Cauchy, Thomas; Lloret, Francesc; Julve, Miguel; Cano, Joan; Avarvari, Narcis |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 11.0894 ± 0.0007 Å |
b | 12.3519 ± 0.0008 Å |
c | 13.0378 ± 0.0008 Å |
α | 90.231 ± 0.005° |
β | 111.019 ± 0.006° |
γ | 114.765 ± 0.006° |
Cell volume | 1488.4 ± 0.2 Å3 |
Cell temperature | 149.3 ± 0.4 K |
Ambient diffraction temperature | 149.3 ± 0.4 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0964 |
Residual factor for significantly intense reflections | 0.0734 |
Weighted residual factors for significantly intense reflections | 0.1852 |
Weighted residual factors for all reflections included in the refinement | 0.2075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7709606.html
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.