Information card for entry 7708791

Structure parameters

• Formula: C11.5 H30 B12 Br2 S2
• Calculated formula: C11.5 H26 B12 Br2 S2
• Title of publication: Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond
• Authors of publication: Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 7.1932 ± 0.0005 Å
• b: 9.4805 ± 0.0006 Å
• c: 18.3732 ± 0.0012 Å
• α: 76.724 ± 0.002°
• β: 86.032 ± 0.002°
• γ: 73.834 ± 0.002°
• Cell volume: 1171.24 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No