Information card for entry 2227952

Structure parameters

• Common name: Tripropylammonium trithiocyanurate
• Chemical name: Tripropylazanium 2,4,6-trisulfanylidenecyclohexan-1-ide
• Formula: C12 H24 N4 S3
• Calculated formula: C12 H24 N4 S3
• SMILES: [NH+](CCC)(CCC)CCC.N1C(=S)N=C([S-])NC1=S
• Title of publication: Tripropylammonium trithiocyanurate
• Authors of publication: Yang, Yunxia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2793
• a: 8.3677 ± 0.0005 Å
• b: 12.8827 ± 0.0008 Å
• c: 16.5339 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1782.33 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes