Information card for entry 2226272

Structure parameters

• Chemical name: 4,4'-Dimethyl-1,1'-(<i>p</i>-phenylenedimethylene)dipyridinium bis[7,7,8,8-tetracyanoquinodimethanide(1-)]
• Formula: C44 H30 N10
• Calculated formula: C44 H30 N10
• SMILES: C(#N)C(C#N)=C1C=CC(C=C1)=C(C#N)C#N.Cc1cc[n+](cc1)Cc1ccc(C[n+]2ccc(C)cc2)cc1.C(#N)C(C#N)=C1C=CC(C=C1)=C(C#N)C#N
• Title of publication: 4,4'-Dimethyl-1,1'-(<i>p</i>-phenylenedimethylene)dipyridinium bis[7,7,8,8-tetracyanoquinodimethanide(1{-})]
• Authors of publication: Liu, Guang-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1359
• a: 8.5904 ± 0.0012 Å
• b: 8.6786 ± 0.0011 Å
• c: 13.3016 ± 0.0017 Å
• α: 101.558 ± 0.002°
• β: 106.134 ± 0.002°
• γ: 97.906 ± 0.002°
• Cell volume: 913.4 ± 0.2 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: 0.0716
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes