Information card for entry 2217151

Structure parameters

• Chemical name: 1,1'-Dimethyl-4,4'-bipyridinium bis(tetrafluoroborate)
• Formula: C12 H14 B2 F8 N2
• Calculated formula: C12 H14 B2 F8 N2
• SMILES: [B](F)(F)(F)[F-].c1cc(c2cc[n+](cc2)C)cc[n+]1C.[B](F)(F)(F)[F-]
• Title of publication: 1,1'-Dimethyl-4,4'-bipyridinium bis(tetrafluoridoborate)
• Authors of publication: Yang, Fan; Deng, Jian-Cheng; Li, Zhi-Gang; Xu, Jing-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o253 - o253
• a: 5.824 ± 0.002 Å
• b: 8.849 ± 0.003 Å
• c: 14.855 ± 0.006 Å
• α: 90°
• β: 94.825 ± 0.005°
• γ: 90°
• Cell volume: 762.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1355
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes