Information card for entry 7204004

Structure parameters

• Formula: C11 H11 B F4 N O S8
• Calculated formula: C11 H7 B F4 N O S8
• 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: 20.944 ± 0.005 Å
• b: 9.861 ± 0.002 Å
• c: 9.404 ± 0.002 Å
• α: 90°
• β: 95.61 ± 0.02°
• γ: 90°
• Cell volume: 1932.9 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0884
• Goodness-of-fit parameter for significantly intense reflections: 1.695
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No