Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229227
Preview
| Coordinates | 7229227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tributyl(1H,1H,2H,2H-perfluorodecyl)phosphonium dicyanamide |
|---|---|
| Formula | C24 H31 F17 N3 P |
| Calculated formula | C24 H31 F17 N3 P |
| Title of publication | Lamellar Structures in Fluorinated Phosphonium Ionic Liquids: the Roles of Fluorination and Chain Length |
| Authors of publication | Zhang, Peng; Rauber, Daniel; Huch, Volker; Kraus, Tobias; Hempelmann, Rolf |
| Journal of publication | Phys. Chem. Chem. Phys. |
| Year of publication | 2017 |
| a | 10.1936 ± 0.0007 Å |
| b | 12.6081 ± 0.001 Å |
| c | 25.0746 ± 0.0017 Å |
| α | 102.184 ± 0.004° |
| β | 97.398 ± 0.004° |
| γ | 94.832 ± 0.005° |
| Cell volume | 3103.1 ± 0.4 Å3 |
| Cell temperature | 142 ± 2 K |
| Ambient diffraction temperature | 142 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0947 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229227.cif |
| 201166 | 2017-09-22 | cif/ Adding structures of 7229227 via cif-deposit CGI script. |
7229227.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.