Information card for entry 7056138

Structure parameters

• Common name: Benzylbiquinoxen bis (tetrafluoroborate), bis (acetonitrile)
• Chemical name: N,N'-dibenzyl-3,3'-biquinoxalinium bis(tetrafluoroborate), bis (acetonitrile)
• Formula: C34 H30 B2 F8 N6
• Calculated formula: C34 H30 B2 F8 N6
• SMILES: [B](F)(F)(F)[F-].C([n+]1cc(nc2ccccc12)c1c[n+](Cc2ccccc2)c2c(cccc2)n1)c1ccccc1.N#CC.[B](F)(F)(F)[F-].N#CC
• Title of publication: An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications
• Authors of publication: Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2949
• a: 8.663 ± 0.001 Å
• b: 8.781 ± 0.001 Å
• c: 22.282 ± 0.002 Å
• α: 90°
• β: 95.376 ± 0.006°
• γ: 90°
• Cell volume: 1687.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 5
• 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: 0.0874
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7056035
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No