Information card for entry 7233581

Structure parameters

• Formula: C66 H44 I8 S44
• Calculated formula: C66 H44 I8 S44
• Title of publication: A new (TTF)11I8 organic molecular conductor: from single crystals to flexible all-organic piezoresistive films
• Authors of publication: Victor Lebedev; Elena Laukhina; Evelyn Moreno-Calvo; Concepcio Rovira; Vladimir Laukhin; Ivan Ivanov; Sergei M. Dolotov; Valery F. Traven; Vladimir V. Chernyshev; Jaume Veciana
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 139 - 146
• a: 26.376 ± 0.002 Å
• b: 16.0586 ± 0.0013 Å
• c: 24.243 ± 0.002 Å
• α: 90°
• β: 101.223 ± 0.002°
• γ: 90°
• Cell volume: 10072 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1487
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No