Information card for entry 2212433

Structure parameters

• Chemical name: 1-(4-cyanobenzyl)-4-methylpyridinium 7,7,8,8-tetracyanoquinodimethanide
• Formula: C26 H17 N6
• Calculated formula: C26 H17 N6
• SMILES: N#C[C-](C#N)c1ccc(cc1)[C](C#N)C#N.[n+]1(Cc2ccc(C#N)cc2)ccc(cc1)C
• Title of publication: An anion‒radical salt of 1-(4-cyanobenzyl)-4-methylpyridinium cations and 7,7,8,8-tetracyanoquinodimethane anions
• Authors of publication: Wang, Peng-Fei; Zhou, Hong-Bo; Chen, You-Cun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1110 - o1112
• a: 7.3594 ± 0.0015 Å
• b: 11.869 ± 0.002 Å
• c: 13.612 ± 0.003 Å
• α: 110.792 ± 0.007°
• β: 95.454 ± 0.008°
• γ: 102.249 ± 0.007°
• Cell volume: 1067.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes