Information card for entry 2010264

Structure parameters

• Chemical name: Bis(methylethylenedithio)tetrathiafulvalene
• Formula: C12 H12 S8
• Calculated formula: C13 H18 S8
• Title of publication: Bis(methylethylenedithio)tetrathiafulvalene
• Authors of publication: Swaminathan, K.; Carroll, Patrick J.; Singh, Jai D.; Singh, Harkesh B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1958 - 1960
• a: 6.5687 ± 0.0007 Å
• b: 12.802 ± 0.002 Å
• c: 20.219 ± 0.002 Å
• α: 90°
• β: 97.26 ± 0.01°
• γ: 90°
• Cell volume: 1686.6 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0738
• Goodness-of-fit parameter for significantly intense reflections: 1.5576
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No