Information card for entry 7120214

Structure parameters

• Formula: C4 H12 B2 Br4 S2
• Calculated formula: C4 H12 B2 Br4 S2
• SMILES: [B]([S](C)C)(Br)(Br)[B]([S](C)C)(Br)Br
• Title of publication: Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts
• Authors of publication: Arrowsmith, Merle; Böhnke, Julian; Braunschweig, Holger; Deißenberger, Andrea; Dewhurst, Rian David; Ewing, William; Hörl, Christian; Mies, Jan; Muessig, Jonas
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.4726 ± 0.0004 Å
• b: 7.2585 ± 0.0004 Å
• c: 12.385 ± 0.0008 Å
• α: 90°
• β: 107.281 ± 0.002°
• γ: 90°
• Cell volume: 641.44 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0148
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No