Information card for entry 2233376

Structure parameters

• Chemical name: (Diaminomethylidene)sulfonium chloride‒thiourea (3/2)
• Formula: C5 H23 Cl3 N10 S5
• Calculated formula: C5 H23 Cl3 N10 S5
• SMILES: C(=S)(N)N.C(=[NH2+])(N)S.C(=S)(N)N.C(=[NH2+])(N)S.C(=[NH2+])(N)S.[Cl-].[Cl-].[Cl-]
• Title of publication: (Diaminomethylidene)sulfonium chloride‒thiourea (3/2)
• Authors of publication: Zouihri, Hafid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o257
• a: 16.3469 ± 0.0006 Å
• b: 8.9579 ± 0.0003 Å
• c: 16.1505 ± 0.0005 Å
• α: 90°
• β: 109.105 ± 0.002°
• γ: 90°
• Cell volume: 2234.72 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes