Information card for entry 7715072

Structure parameters

• Formula: C6 H26 B20 S2
• Calculated formula: C6 H26 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: 6.928 ± 0.0005 Å
• b: 8.0128 ± 0.0006 Å
• c: 10.0978 ± 0.0007 Å
• α: 79.295 ± 0.002°
• β: 70.057 ± 0.002°
• γ: 70.854 ± 0.002°
• Cell volume: 496.07 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No