Information card for entry 4112739

Structure parameters

• Formula: C5 H3 S3
• Calculated formula: C5 H3 S3
• Title of publication: Correlation between Crystal Structure and Mobility in Organic Field-Effect Transistors Based on Single Crystals of Tetrathiafulvalene Derivatives
• Authors of publication: Marta Mas-Torrent; Peter Hadley; Stefan T. Bromley; Xavi Ribas; Judit Tarrés; Montserrat Mas; Elies Molins; Jaume Veciana; Concepció Rovira
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 8546 - 8553
• a: 13.976 ± 0.001 Å
• b: 4.109 ± 0.0001 Å
• c: 10.927 ± 0.001 Å
• α: 90°
• β: 110.118 ± 0.007°
• γ: 90°
• Cell volume: 589.22 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.70926 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No