Information card for entry 7204005

Structure parameters

• Formula: C23 H11 F4 N5 O S8
• Calculated formula: C23 F4 N5 O S8
• SMILES: S1C=CSC2=C1SC(S2)=C1SC(=C(S1)SCC(=O)N)SC.FC1C(C(F)=C(F)C(C=1F)=C(C#N)C#N)=C(C#N)C#N
• Title of publication: One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt
• Authors of publication: Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2000
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 2277
• a: 7.5773 ± 0.0008 Å
• b: 13.5538 ± 0.0014 Å
• c: 14.2164 ± 0.0013 Å
• α: 76.894 ± 0.008°
• β: 85.153 ± 0.008°
• γ: 74.656 ± 0.009°
• Cell volume: 1370.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.0765
• Goodness-of-fit parameter for significantly intense reflections: 1.797
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No