Information card for entry 8106698

Structure parameters

• Common name: Potassium 1-Methyl-1,2,3,4-Tetrazole-5-Thiolate
• Formula: C2 H3 K N4 S
• Calculated formula: C2 H3 K N4 S
• Title of publication: Crystal structure of potassium 1-methyl-1H-1,2,3,4-tetrazole-5-thiolate, C2H3N4SK
• Authors of publication: Wang, Xiuhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 845 - 847
• a: 13.874 ± 0.002 Å
• b: 6.5644 ± 0.0011 Å
• c: 6.6911 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 609.39 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No