Information card for entry 7120215

Structure parameters

• Formula: C4 H12 B2 Cl4 S2
• Calculated formula: C4 H12 B2 Cl4 S2
• SMILES: [B]([S](C)C)(Cl)(Cl)[B]([S](C)C)(Cl)Cl
• 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: 9.9144 ± 0.0006 Å
• b: 10.8859 ± 0.0007 Å
• c: 11.2982 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1219.38 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No