Information card for entry 2228531
Chemical name |
3,3'-Dimethyl-1,1'-[(1,3-dihydroxypropane-2,2-diyl)dimethylidene]diimidazolium bis(hexafluorophosphate) |
Formula |
C13 H22 F12 N4 O2 P2 |
Calculated formula |
C13 H22 F12 N4 O2 P2 |
SMILES |
OCC(Cn1c[n+](C)cc1)(CO)Cn1cc[n+](c1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication |
3,3'-Dimethyl-1,1'-[(1,3-dihydroxypropane-2,2-diyl)dimethylidene]diimidazolium bis(hexafluorophosphate) |
Authors of publication |
Yuan, Ai-Lin; Wang, Chang-Sheng; Zhuang, Ling-Hua; Wang, Guo-Wei |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o3282 |
a |
14.622 ± 0.003 Å |
b |
12.504 ± 0.003 Å |
c |
12.165 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2224.2 ± 0.8 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
6 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.151 |
Residual factor for significantly intense reflections |
0.0661 |
Weighted residual factors for significantly intense reflections |
0.1002 |
Weighted residual factors for all reflections included in the refinement |
0.1233 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2228531.html