Information card for entry 1551849

Structure parameters

• Formula: C42 H22 B2 F20
• Calculated formula: C42 H22 B2 F20
• Title of publication: A two-coordinate boron cation featuring C-B±C bonding
• Authors of publication: Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 498 - 503
• a: 15.995 ± 0.003 Å
• b: 15.995 ± 0.003 Å
• c: 7.7772 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1989.7 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 117
• Hermann-Mauguin space group symbol: P -4 b 2
• Hall space group symbol: P -4 -2ab
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No