Information card for entry 7133912

Structure parameters

• Formula: C10 H20 B10 O2 S
• Calculated formula: C10 H20 B10 O2 S
• Title of publication: Pd-Catalysed synthesis of carborane sulfides from carborane thiols.
• Authors of publication: Minematsu, Natsuki; Nishii, Yuji; Hirano, Koji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 8.7117 ± 0.0002 Å
• b: 7.2609 ± 0.0002 Å
• c: 26.2516 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1660.54 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2467
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.762
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No