Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225873
Preview
| Coordinates | 7225873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DimimFeCl4 (dimim=1,3-dimethylimidazolium) |
|---|---|
| Formula | C5 H9 Cl4 Fe N2 |
| Calculated formula | C5 H9 Cl4 Fe N2 |
| SMILES | [Fe](Cl)(Cl)(Cl)[Cl-].n1(c[n+](cc1)C)C |
| Title of publication | Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid |
| Authors of publication | de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus |
| Journal of publication | Phys. Chem. Chem. Phys. |
| Year of publication | 2016 |
| a | 6.5434 ± 0.0002 Å |
| b | 14.0286 ± 0.0002 Å |
| c | 6.5314 ± 0.0002 Å |
| α | 90° |
| β | 89.921 ± 0.001° |
| γ | 90° |
| Cell volume | 599.55 ± 0.03 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor R(I) for significantly intense reflections | 0.071 |
| Goodness-of-fit parameter for all reflections | 6.094 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.61969 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184344 (current) | 2016-07-09 | cif/ Adding structures of 7225873 via cif-deposit CGI script. |
7225873.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.