Information card for entry 4122814

Structure parameters

• Formula: C155.54 H71.07 Al4 Cl7.07 F144 O16 S4 Se4
• Calculated formula: C155.541 H71.082 Al4 Cl7.082 F144 O16 S4 Se4
• 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: 18.1584 ± 0.0016 Å
• b: 20.0734 ± 0.0017 Å
• c: 54.656 ± 0.005 Å
• α: 90°
• β: 94.057 ± 0.002°
• γ: 90°
• Cell volume: 19872 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2132
• Residual factor for significantly intense reflections: 0.1385
• Weighted residual factors for significantly intense reflections: 0.3858
• Weighted residual factors for all reflections included in the refinement: 0.4302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.416
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No