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Information card for entry 1518534
Preview
Coordinates | 1518534.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1,2,4-Triazolium perfluorobutanesulfonate |
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Chemical name | 1,2,4-Triazolium perfluorobutanesulfonate |
Formula | C6 H4 F9 N3 O3 S |
Calculated formula | C6 H4 F9 N3 O3 S |
SMILES | [nH]1nc[nH+]c1.S(=O)(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
Title of publication | 1,2,4-Triazolium perfluorobutanesulfonate as an archetypal pure protic organic ionic plastic crystal electrolyte for all-solid-state fuel cells |
Authors of publication | Luo, Jiangshui; Jensen, Annemette H.; Brooks, Neil R.; Sniekers, Jeroen; Knipper, Martin; Aili, David; Li, Qingfeng; Vanroy, Bram; Wübbenhorst, Michael; Yan, Feng; Van Meervelt, Luc; Shao, Zhigang; Fang, Jianhua; Luo, Zheng-Hong; De Vos, Dirk E.; Binnemans, Koen; Fransaer, Jan |
Journal of publication | Energy Environ. Sci. |
Year of publication | 2015 |
Journal volume | 8 |
Journal issue | 4 |
Pages of publication | 1276 |
a | 5.2742 ± 0.0004 Å |
b | 8.2719 ± 0.0005 Å |
c | 29.673 ± 0.002 Å |
α | 90° |
β | 93.124 ± 0.007° |
γ | 90° |
Cell volume | 1292.64 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0617 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.1163 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.19 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1518534.html
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Users of the data should acknowledge the original authors of the
structural data.