Information card for entry 2220463

Structure parameters

• Chemical name: 2,3-Bis(2-methoxyphenyl)tetrazolium-5-thiolate‒acetone‒dichloromethane (1/0.4/0.1)
• Formula: C16.3 H16.6 Cl0.2 N4 O2.4 S
• Calculated formula: C16.3 H16.6 Cl0.2 N4 O2.4 S
• Title of publication: 2,3-Bis(2-methoxyphenyl)tetrazolium-5-thiolate‒acetone‒dichloromethane (1/0.4/0.1)
• Authors of publication: Eschwege, Karel G. von; Muller, Alfred
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o2
• a: 19.5069 ± 0.0013 Å
• b: 12.5245 ± 0.0007 Å
• c: 13.278 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3244 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes