Information card for entry 2204866

Structure parameters

• Chemical name: 4,4',5,5'-Tetrakis(methylsulfanyl)tetrathiafulvalene
• Formula: C10 H12 S8
• Calculated formula: C10 H12 S8
• SMILES: S1C(=C2SC(=C(S2)SC)SC)SC(=C1SC)SC
• Title of publication: 4,4',5,5'-Tetrakis(methylsulfanyl)tetrathiafulvalene
• Authors of publication: Lei Wang; Jing-Ping Zhang; Bin Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o65 - o66
• a: 14.001 ± 0.0002 Å
• b: 7.0811 ± 0.0001 Å
• c: 15.6584 ± 0.0003 Å
• α: 90°
• β: 106.213 ± 0.001°
• γ: 90°
• Cell volume: 1490.67 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes