Information card for entry 2228485

Structure parameters

• Common name: 2,3-Bis(methylsulfanyl)-1,4,5,8-tetrathiafulvalene
• Chemical name: 2-(2H-1,3-dithiol-2-ylidene)-4,5-bis(methylsulfanyl)-2H-1,3-dithiole
• Formula: C8 H8 S6
• Calculated formula: C8 H8 S6
• SMILES: C1=CSC(=C2SC(=C(S2)SC)SC)S1
• Title of publication: 2,3-Bis(methylsulfanyl)-1,4,5,8-tetrathiafulvalene
• Authors of publication: Zheng, Ning-Juan; Yin, Bing-Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3306
• a: 19.368 ± 0.011 Å
• b: 7.703 ± 0.004 Å
• c: 17.15 ± 0.008 Å
• α: 90°
• β: 108.59 ± 0.02°
• γ: 90°
• Cell volume: 2425 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes