Information card for entry 7103988
Common name |
1,3-dimethylimidazolium hexafluorophosphate |
Chemical name |
1,3-dimethylimidazolium hexafluorophosphate |
Formula |
C5 H9 F6 N2 P |
Calculated formula |
C5 H9 F6 N2 P |
SMILES |
Cn1cc[n+](c1)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication |
Liquid clathrate formation in ionic liquid‒aromatic mixtures |
Authors of publication |
Holbrey, John D.; Reichert, W. Matthew; Nieuwenhuyzen, Mark; Sheppard, Oonagh; Hardacre, Christopher; Rogers, Robin D. |
Journal of publication |
Chemical Communications (Cambridge, United Kingdom) |
Year of publication |
2003 |
Journal issue |
4 |
Pages of publication |
476 - 477 |
a |
11.254 ± 0.002 Å |
b |
9.3606 ± 0.0019 Å |
c |
17.986 ± 0.004 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1894.7 ± 0.7 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0708 |
Residual factor for significantly intense reflections |
0.0529 |
Weighted residual factors for significantly intense reflections |
0.1408 |
Weighted residual factors for all reflections included in the refinement |
0.1528 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7103988.html