Information card for entry 7220220

Structure parameters

• Chemical name: (ethylenedithio)(2-hydroxypropylene-1,3-dithio)Tetrathiafulvalene
• Formula: C11 H10 O S8
• Calculated formula: C10.789 H9.578 O S8
• Title of publication: A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies
• Authors of publication: Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.5765 ± 0.001 Å
• b: 15.314 ± 0.002 Å
• c: 16.664 ± 0.002 Å
• α: 89.607 ± 0.007°
• β: 89.35 ± 0.008°
• γ: 88.861 ± 0.007°
• Cell volume: 1677.8 ± 0.4 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: 0.0533
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No