Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501675
Preview
| Coordinates | 1501675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,3-dimethylimidazolium mu3-fluoro-tris(fluorohydrogenate) |
|---|---|
| Formula | C5 H12 F4 N2 |
| Calculated formula | C5 H12 F4 N2 |
| SMILES | [F-]([H]F)([H]F)[H]F.n1(cc[n+](c1)C)C |
| Title of publication | Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids |
| Authors of publication | Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2011 |
| Journal volume | 115 |
| Journal issue | 10 |
| Pages of publication | 4324 |
| a | 5.598 ± 0.0002 Å |
| b | 10.6076 ± 0.0004 Å |
| c | 14.5523 ± 0.0007 Å |
| α | 90° |
| β | 92.713 ± 0.001° |
| γ | 90° |
| Cell volume | 863.17 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0386 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1501675.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1501675.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501675.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501675.cif |
| 35030 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501675 via cif-deposit CGI script. |
1501675.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.