Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7718816
Preview
| Coordinates | 7718816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H31 Cl Co N4 O6 |
|---|---|
| Calculated formula | C37 H31 Cl Co N4 O6 |
| Title of publication | Elucidation of trans/cis-isomerization of cinnamate ligand on structural, spectroscopic and magnetic properties of cobalt(II) single-molecule magnets |
| Authors of publication | Halaš, Petr; Nemec, Ivan; Cizmar, Erik; Herchel, Radovan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 14.541 ± 0.0002 Å |
| b | 14.2475 ± 0.0001 Å |
| c | 15.9176 ± 0.0002 Å |
| α | 90° |
| β | 107.679 ± 0.001° |
| γ | 90° |
| Cell volume | 3141.95 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.11 K |
| Ambient diffraction temperature | 100 ± 0.11 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| 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 |
|---|---|---|---|
| 299883 (current) | 2025-05-31 | cif/ Adding structures of 7718815, 7718816 via cif-deposit CGI script. |
7718816.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.