Information card for entry 4122813

Structure parameters

• Formula: C38 H16 Al F36 O4 S2
• Calculated formula: C38 H16 Al F36 O4 S2
• Title of publication: Odd-Electron-Bonded Sulfur Radical Cations: X-ray Structural Evidence of a Sulfur-Sulfur Three-Electron σ-Bond.
• Authors of publication: Zhang, Senwang; Wang, Xingyong; Sui, Yunxia; Wang, Xinping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 14666 - 14669
• a: 10.5769 ± 0.0016 Å
• b: 15.839 ± 0.002 Å
• c: 16.025 ± 0.002 Å
• α: 109.034 ± 0.0019°
• β: 102.164 ± 0.002°
• γ: 108.021 ± 0.002°
• Cell volume: 2263.7 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No