Information card for entry 7109965

Structure parameters

• Formula: C12 H14 B2 F8 N2
• Calculated formula: C12 H14 B2 F8 N2
• SMILES: [B](F)(F)(F)[F-].C[n+]1ccc(cc1)c1cc[n+](C)cc1.[B](F)(F)(F)[F-]
• Title of publication: Unprecedented stacking of MV^2+^ dications and MV^.+^ radical cations in the mixed-valence viologen salt (MV)2(BF4)3 (MV = methylviologen)
• Authors of publication: Nicolas Leblanc; Nicolas Mercier; Oksana Toma; Abdel Hadi Kassiba; Leokadiya Zorina; Pascale Auban-Senzier; Claude Pasquier
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10272
• a: 5.7604 ± 0.0001 Å
• b: 8.8646 ± 0.0001 Å
• c: 14.8902 ± 0.0002 Å
• α: 90°
• β: 94.975 ± 0.002°
• γ: 90°
• Cell volume: 757.483 ± 0.019 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: 0.1559
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No