Information card for entry 7204842

Structure parameters

• Formula: C20 H26 Br2 S7
• Calculated formula: C20 H26 Br2 S7
• Title of publication: The electroactivity of tetrathiafulvalene vs. polythiophene: synthesis and characterisation of a fused thieno‒TTF polymer
• Authors of publication: Peter J. Skabara; Rory Berridge; Eric J. L. McInnes; David P. West; Simon J. Coles; Michael B. Hursthouse; Klaus Müllen
• Journal of publication: J. Mater. Chem.
• Year of publication: 2004
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 1964 - 1969
• a: 7.791 ± 0.0016 Å
• b: 11.819 ± 0.002 Å
• c: 15.064 ± 0.003 Å
• α: 96.69 ± 0.03°
• β: 98.74 ± 0.03°
• γ: 104.21 ± 0.03°
• Cell volume: 1311.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No