Information card for entry 4344172

Structure parameters

• Common name: 5-methyl-6-ethyl-thieno[2,3-d][1,3]dithiole-2-thione
• Formula: C8 H8 S4
• Calculated formula: C8 H8 S4
• SMILES: C1(=S)Sc2c(c(c(C)s2)CC)S1
• Title of publication: A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.
• Authors of publication: Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 9908 - 9913
• a: 9.6042 ± 0.0003 Å
• b: 10.2419 ± 0.0004 Å
• c: 10.597 ± 0.0004 Å
• α: 90°
• β: 102.974 ± 0.005°
• γ: 90°
• Cell volume: 1015.77 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No