Information card for entry 2010342

Structure parameters

• Formula: C14 H8 N4 S2
• Calculated formula: C14 H8 N4 S2
• SMILES: CSc1cc(=C(C#N)C#N)c(cc1=C(C#N)C#N)SC
• Title of publication: 2,5-Bis(methylthio)-7,7',8,8'-tetracyanoquinodimethane
• Authors of publication: Mizuguchi, J.; Zambounis, J.S.; Rihs, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 2004 - 2007
• a: 9.208 ± 0.001 Å
• b: 5.391 ± 0.001 Å
• c: 14.343 ± 0.002 Å
• α: 90°
• β: 106.8 ± 0.01°
• γ: 90°
• Cell volume: 681.6 ± 0.18 ų
• Cell temperature: 293 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: 0.03
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No