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Information card for entry 7206168
Preview
| Coordinates | 7206168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C3 H7 N3 O3 S |
|---|---|
| Calculated formula | C3 H7 N3 O3 S |
| SMILES | S(=O)(=O)([O-])C.[nH]1nc[nH+]c1 |
| Title of publication | Protic ionic liquid and ionic melts prepared from methanesulfonic acid and 1H-1,2,4-triazole as high temperature PEMFC electrolytes |
| Authors of publication | Luo, Jiangshui; Hu, Jin; Saak, Wolfgang; Beckhaus, Rüdiger; Wittstock, Gunther; Vankelecom, Ivo F. J.; Agert, Carsten; Conrad, Olaf |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 28 |
| Pages of publication | 10426 |
| a | 5.4497 ± 0.0004 Å |
| b | 7.4823 ± 0.0007 Å |
| c | 16.7814 ± 0.0013 Å |
| α | 90° |
| β | 95.212 ± 0.008° |
| γ | 90° |
| Cell volume | 681.45 ± 0.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7206168.cif |
| 180392 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206168.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206168.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206168.cif |
| 23549 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206168 via cif-deposit CGI script. |
7206168.cif |
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Users of the data should acknowledge the original authors of the
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