Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7712951
Preview
| Coordinates | 7712951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H20 Co F12 N2 O4 |
|---|---|
| Calculated formula | C24 H20 Co F12 N2 O4 |
| Title of publication | Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism |
| Authors of publication | Mičová, Romana; Rajnák, Cyril; Titis, Jan; Bieńko, Alina; Moncol, Jan; Samolova, Erika; Boca, Roman |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 8.0773 ± 0.0003 Å |
| b | 26.4017 ± 0.0012 Å |
| c | 19.7244 ± 0.0009 Å |
| α | 90° |
| β | 100.742 ± 0.003° |
| γ | 90° |
| Cell volume | 4132.6 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0957 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0361 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283538 (current) | 2023-05-06 | cif/ Adding structures of 7712951, 7712952, 7712953 via cif-deposit CGI script. |
7712951.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.