Information card for entry 7715076

Structure parameters

• Formula: C36 H92 B20 N2 S2
• Calculated formula: C36 H92 B20 N2 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: 43.403 ± 0.01 Å
• b: 11.311 ± 0.003 Å
• c: 20.644 ± 0.005 Å
• α: 90°
• β: 103.059 ± 0.007°
• γ: 90°
• Cell volume: 9873 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.253
• Weighted residual factors for all reflections included in the refinement: 0.2733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No