Information card for entry 1542547

Structure parameters

• Common name: [MBqn2+](BF4)2 Methylbiquinoxen bis tetrafluoroborate
• Chemical name: N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluoroborate
• Formula: C18 H16 B2 F8 N4
• Calculated formula: C18 H16 B2 F8 N4
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[n+]1(C)c2ccccc2nc(c1)c1nc2c([n+](C)c1)cccc2
• Title of publication: A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform
• Authors of publication: Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 3820
• a: 7.547 ± 0.0008 Å
• b: 7.886 ± 0.0007 Å
• c: 8.992 ± 0.0009 Å
• α: 66.005 ± 0.007°
• β: 85.305 ± 0.008°
• γ: 83.508 ± 0.008°
• Cell volume: 485.4 ± 0.09 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No