Information card for entry 7206168

Structure parameters

• 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 ų
• 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