Information card for entry 2243326

Structure parameters

• Chemical name: 1,3-Dimethoxy-2-(methylsulfanyl)imidazolium tetrafluoridoborate
• Formula: C6 H11 B F4 N2 O2 S
• Calculated formula: C6 H11 B F4 N2 O2 S
• SMILES: S(c1n(OC)cc[n+]1OC)C.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and crystal structures of two 1,3-di(alkyloxy)-2-(methylsulfanyl)imidazolium tetrafluoridoborates
• Authors of publication: Gelbrich, Thomas; Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Huppertz, Hubert; Schottenberger, Herwig
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 552 - 556
• a: 8.1049 ± 0.0007 Å
• b: 11.6979 ± 0.001 Å
• c: 12.081 ± 0.0012 Å
• α: 90°
• β: 90.069 ± 0.009°
• γ: 90°
• Cell volume: 1145.4 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes