Information card for entry 4344171

Structure parameters

• Common name: 5,6-dimethyl-thieno[2,3-d][1,3]dithiole-2-thione
• Formula: C7 H6 S4
• Calculated formula: C7 H6 S4
• SMILES: S=C1Sc2sc(c(c2S1)C)C
• 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: 8.442 ± 0.003 Å
• b: 10.174 ± 0.002 Å
• c: 10.579 ± 0.003 Å
• α: 90°
• β: 94.13 ± 0.03°
• γ: 90°
• Cell volume: 906.3 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No