Information card for entry 2231753

Structure parameters

• Chemical name: Triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide
• Formula: C9 H18 N4 S3
• Calculated formula: C9 H18 N4 S3
• Title of publication: Triethylammonium 2,4,6-trisulfanylidene-1,3,5-triazinan-1-ide
• Authors of publication: Li, He-Ping; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2473
• a: 13.1648 ± 0.0003 Å
• b: 13.0636 ± 0.0003 Å
• c: 16.9552 ± 0.0004 Å
• α: 90°
• β: 93.779 ± 0.002°
• γ: 90°
• Cell volume: 2909.61 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1177
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes