Information card for entry 1572799

Structure parameters

• Formula: C6.04 H31 B30.96
• Calculated formula: C6.04 H31 B30.96
• Title of publication: Structure-Constraint Induced Increase in Lewis Acidity of Tris(ortho-carboranyl)borane and Selective Complexation with Bestmann Ylides
• Authors of publication: Xiang, Libo; Wang, Junyi; Matler, Alexander; Ye, Qing
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 21.64 ± 0.004 Å
• b: 16.954 ± 0.003 Å
• c: 6.7999 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2494.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No