Information card for entry 4134728

Structure parameters

• Formula: C34 H15 Al F36 O4 S2
• Calculated formula: C34 H15 Al F36 O4 S2
• Title of publication: A Magnetically Robust Triplet Ground State Sulfur-Hydrocarbon Diradical Dication.
• Authors of publication: Tang, Shuxuan; Zhang, Li; Ruan, Huapeng; Zhao, Yue; Wang, Xinping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7340 - 7344
• a: 10.975 ± 0.002 Å
• b: 11.916 ± 0.002 Å
• c: 17.67 ± 0.003 Å
• α: 92.41 ± 0.004°
• β: 98.443 ± 0.004°
• γ: 103.385 ± 0.004°
• Cell volume: 2216.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1416
• 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: No