Information card for entry 2017095

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dimethyldipyrazinium bis(tetrafluoroborate)
• Formula: C6 H10 B2 F8 N2
• Calculated formula: C6 H10 B2 F8 N2
• SMILES: [B](F)(F)(F)[F-].c1[n+](C)cc[n+](c1)C.[B](F)(F)(F)[F-]
• Title of publication: <i>N</i>,<i>N</i>'-Dimethylpyrazinediium bis(tetrafluoroborate) and <i>N</i>,<i>N</i>'-diethylpyrazinediium bis(tetrafluoroborate): new examples of anion‒π triads
• Authors of publication: Lu, Jianjiang; Jalilov, Almaz S.; Kochi, Jay K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o226 - o228
• a: 5.6227 ± 0.0014 Å
• b: 14.884 ± 0.004 Å
• c: 6.7419 ± 0.0017 Å
• α: 90°
• β: 103.557 ± 0.004°
• γ: 90°
• Cell volume: 548.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes