Information card for entry 4344175

Structure parameters

• Common name: bis(4-ethyl-5-methylthiophene-2,3-dithiolate)gold
• Formula: C14 H16 Au S6
• Calculated formula: C14 H16 Au S6
• SMILES: c12S[Au]3(Sc4c(S3)sc(c4CC)C)Sc1c(CC)c(C)s2
• 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: 6.08222 ± 0.00017 Å
• b: 7.4498 ± 0.0002 Å
• c: 10.5245 ± 0.0003 Å
• α: 96.6635 ± 0.0018°
• β: 97.3421 ± 0.0019°
• γ: 109.17 ± 0.0017°
• Cell volume: 440.34 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No