Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7225871
Preview
Coordinates | 7225871.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 | 9.1242 ± 0.0001 Å |
b | 13.8132 ± 0.0002 Å |
c | 9.0359 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1138.83 ± 0.02 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor R(I) for significantly intense reflections | 0.223 |
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 |
---|---|---|---|
184342 (current) | 2016-07-09 | cif/ Adding structures of 7225871 via cif-deposit CGI script. |
7225871.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.