Information card for entry 4338306

Structure parameters

• Formula: C21 H6 Al F36 O4 S4
• Calculated formula: C21 H6 Al F36 O4 S4
• 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: 19.443 ± 0.002 Å
• b: 17.8404 ± 0.0019 Å
• c: 21.047 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7300.6 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No