Information card for entry 7120213

Structure parameters

• Formula: C4 H12 B2 I4 S2
• Calculated formula: C4 H12 B2 I4 S2
• SMILES: [B](I)(I)([S](C)C)[B](I)(I)[S](C)C
• 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: 7.556 ± 0.004 Å
• b: 7.455 ± 0.005 Å
• c: 13.174 ± 0.008 Å
• α: 90°
• β: 104.89 ± 0.03°
• γ: 90°
• Cell volume: 717.2 ± 0.8 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: 0.0178
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No