Information card for entry 7129567

Structure parameters

• Formula: C38 H20 S6
• Calculated formula: C38 H20 S6
• Title of publication: A Cationic Sulfur-Hydrocarbon Triradical with an Excited Quartet State
• Authors of publication: Tang, Shuxuan; Ruan, Huapeng; Hu, Zhao-Bo; Zhao, Yue; Song, You; Wang, Xinping
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.143 ± 0.003 Å
• b: 12.143 ± 0.003 Å
• c: 11.827 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1510.3 ± 0.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1841
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for significantly intense reflections: 0.2684
• Weighted residual factors for all reflections included in the refinement: 0.2978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No