Information card for entry 1558998

Structure parameters

• Common name: 6H-2-(4,5-Dimethyl-1,3-dithio1-2-ylidene)-1,3,5,7-tetrathia-s-indacene
• Formula: C13 H10 As0.5 F3 S6
• Calculated formula: C13 As0.5 F3 S6
• Title of publication: Synthesis, Properties and Radical Cation Salts of Non-centrosymmetrical Tetrathiafulvalenes Derived from 1,3,5,7-Tetrathia-s-indacene
• Authors of publication: Krebs, Frederik C.; Larsen, Jan; Boubekeur, Kamal; Fourmigue, Marc
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1993
• Journal volume: 47
• Pages of publication: 910 - 915
• a: 7.246 ± 0.006 Å
• b: 7.797 ± 0.001 Å
• c: 15.041 ± 0.002 Å
• α: 100.73 ± 0.01°
• β: 91.44 ± 0.03°
• γ: 101.2 ± 0.03°
• Cell volume: 817.4 ± 0.7 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No