Information card for entry 7204605

Structure parameters

• Formula: C9 H8 Cl O4 S5
• Calculated formula: C9 H8 Cl O4 S5
• Title of publication: Linearly extended tetrathiafulvalene analogues with fused thiophene units as π-conjugated spacers
• Authors of publication: Philippe Leriche; Jean-Manuel Raimundo; Mathieu Turbiez; Vincent Monroche; Magali Allain; François-Xavier Sauvage; Jean Roncali; Pierre Frère; Peter J. Skabara
• Journal of publication: J. Mater. Chem.
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1324 - 1332
• a: 20.223 ± 0.002 Å
• b: 7.0107 ± 0.0005 Å
• c: 19.581 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2776.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1226
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No