Information card for entry 7715071

Structure parameters

• Formula: C4 H22 B20 S2
• Calculated formula: C4 H22 B20 S2
• Title of publication: Synthesis and cluster structure distortions of biscarborane dithiol, thioether, and disulfide.
• Authors of publication: Riffle, Jared R.; Hemingway, Tyler M.; Smith, Mark D.; Peryshkov, Dmitry V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4444 - 4450
• a: 7.604 ± 0.0016 Å
• b: 9.2193 ± 0.0019 Å
• c: 13.11 ± 0.003 Å
• α: 90°
• β: 95.532 ± 0.005°
• γ: 90°
• Cell volume: 914.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No