Information card for entry 1575675

Structure parameters

• Formula: C4 H10 B I3 S
• Calculated formula: C4 H10 B I3 S
• Title of publication: Synthesis of perhalogenated silylboranes (X = Cl, I) and their application in regiodivergent alkene silaboration.
• Authors of publication: Heller, Jan; Buch, Christoph D.; Virovets, Alexander V.; Peresypkina, Eugenia; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 20329 - 20343
• a: 7.2744 ± 0.0004 Å
• b: 8.7817 ± 0.0004 Å
• c: 8.9556 ± 0.0005 Å
• α: 85.843 ± 0.004°
• β: 85.31 ± 0.004°
• γ: 85.904 ± 0.004°
• Cell volume: 567.45 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0636
• 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