Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2225709
Preview
Coordinates | 2225709.cif |
---|---|
Structure factors | 2225709.hkl |
Original IUCr paper | HTML |
Chemical name | 3,3'-Di-<i>n</i>-butyl-1,1'-(<i>p</i>-phenylenedimethylene)diimidazolium bis(hexafluorophosphate) |
---|---|
Formula | C22 H32 F12 N4 P2 |
Calculated formula | C22 H32 F12 N4 P2 |
SMILES | c1n(CCCC)c[n+](Cc2ccc(cc2)C[n+]2cn(cc2)CCCC)c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | 3,3'-Di-<i>n</i>-butyl-1,1'-(<i>p</i>-phenylenedimethylene)diimidazolium bis(hexafluorophosphate) |
Authors of publication | Haque, Rosenani A.; Washeel, Abbas; Nasri, S. Fatimah; Yeap, Chin Sing; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 4 |
Pages of publication | o824 - o825 |
a | 8.9802 ± 0.0005 Å |
b | 17.8421 ± 0.001 Å |
c | 9.3637 ± 0.0005 Å |
α | 90° |
β | 113.233 ± 0.001° |
γ | 90° |
Cell volume | 1378.64 ± 0.13 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.1061 |
Weighted residual factors for all reflections included in the refinement | 0.1206 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2225709.html
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.