Information card for entry 4338304

Structure parameters

• Formula: C10 H12 S8
• Calculated formula: C10 H12 S8
• SMILES: S1C(=C2SC(=C(SC)S2)SC)SC(=C1SC)SC
• Title of publication: Stabilizing radical cation and dication of a tetrathiafulvalene derivative by a weakly coordinating anion.
• Authors of publication: Gao, Feng; Zhu, Fei-Fei; Wang, Xing-Yong; Xu, Yan; Wang, Xin-Ping; Zuo, Jing-Lin
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5321 - 5327
• a: 13.876 ± 0.003 Å
• b: 7.7082 ± 0.0018 Å
• c: 15.541 ± 0.004 Å
• α: 90°
• β: 106.999 ± 0.002°
• γ: 90°
• Cell volume: 1589.6 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0314
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No