Information card for entry 2207886

Structure parameters

• Common name: Thiaminium chloride perchlorate
• Chemical name: Thiaminium chloride perchlorate
• Formula: C12 H18 Cl2 N4 O5 S
• Calculated formula: C12 H18 Cl2 N4 O5 S
• Title of publication: Thiaminium chloride perchlorate
• Authors of publication: S. Athimoolam; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o202 - o204
• a: 8.076 ± 0.003 Å
• b: 10.896 ± 0.004 Å
• c: 11.594 ± 0.005 Å
• α: 107.61 ± 0.03°
• β: 97.39 ± 0.03°
• γ: 111.3 ± 0.03°
• Cell volume: 872.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes