Information card for entry 7715073

Structure parameters

• Formula: C28 H68 B20 K2 O6 S2
• Calculated formula: C28 H68 B20 K2 O6 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: 9.8304 ± 0.0003 Å
• b: 10.2692 ± 0.0004 Å
• c: 12.8148 ± 0.0004 Å
• α: 95.495 ± 0.002°
• β: 106.131 ± 0.001°
• γ: 107.556 ± 0.001°
• Cell volume: 1161.85 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No