Information card for entry 2200497

Structure parameters

• Formula: C25 H13 Cl2 N6
• Calculated formula: C25 H13 Cl2 N6
• SMILES: Clc1c(cc(Cl)c(c1)[C](C#N)C#N)[C-](C#N)C#N.[n+]1(c2ccccc2nc2ccccc12)C
• Title of publication: <i>N</i>-Methylphenazinium 2,5-dichloro-7,7',8,8'-tetracyanoquinodimethanide
• Authors of publication: Kazumasa Ueda; Toyonari Sugimoto; Tomoyuki Mochida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o578 - o580
• a: 7.2978 ± 0.0003 Å
• b: 14.9895 ± 0.0005 Å
• c: 19.6091 ± 0.0006 Å
• α: 90°
• β: 91.042 ± 0.001°
• γ: 90°
• Cell volume: 2144.69 ± 0.13 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.316
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes