Information card for entry 2234371

Structure parameters

• Chemical name: 2-Methylsulfanyl-5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxin- 2-ium tetrafluoroborate
• Formula: C6 H7 B F4 O2 S3
• Calculated formula: C6 H7 B F4 O2 S3
• Title of publication: 2-Methylsulfanyl-5,6-dihydro-2<i>H</i>-1,3-dithiolo[4,5-<i>b</i>][1,4]dioxin-2-ium tetrafluoroborate
• Authors of publication: Zhou, Guoquan; Chen, Xinzhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o949
• a: 10.741 ± 0.0013 Å
• b: 10.1175 ± 0.001 Å
• c: 10.1874 ± 0.0011 Å
• α: 90°
• β: 94.488 ± 0.004°
• γ: 90°
• Cell volume: 1103.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes