Information card for entry 7708786

Structure parameters

• Formula: C6 H22 B12 Br2 S2
• Calculated formula: C6 H22 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: 13.0965 ± 0.0006 Å
• b: 10.4041 ± 0.0005 Å
• c: 14.1531 ± 0.0006 Å
• α: 90°
• β: 99.845 ± 0.003°
• γ: 90°
• Cell volume: 1900.06 ± 0.15 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No