Information card for entry 7708790

Structure parameters

• Formula: C13 H32 B12 Br2 S2
• Calculated formula: C13 H32 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: 13.4739 ± 0.0003 Å
• b: 14.791 ± 0.0003 Å
• c: 11.65 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2321.76 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0261
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No