Information card for entry 7109963

Structure parameters

• Formula: C12 H14 B F4 N2
• Calculated formula: C12 H14 B F4 N2
• 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: 6.5851 ± 0.0005 Å
• b: 16.5308 ± 0.001 Å
• c: 11.7122 ± 0.001 Å
• α: 90°
• β: 93.64 ± 0.01°
• γ: 90°
• Cell volume: 1272.38 ± 0.17 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 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: 0.1271
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No