Information card for entry 2003771

Structure parameters

• Formula: C6 H4 I N S2
• Calculated formula: C6 H4 I N S2
• Title of publication: Benzo-1,3,2-dithiazolium Iodide
• Authors of publication: Oakley, R. T.; von Spence, R. E.; Richardson, J. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1654 - 1655
• a: 5.21 ± 0.002 Å
• b: 9.527 ± 0.003 Å
• c: 16.524 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 820.2 ± 0.5 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.03
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No