Information card for entry 7134118

Structure parameters

• Formula: B5 Br5 S
• Calculated formula: B5 Br5 S
• Title of publication: The synthesis and structural aspects of the perbromo-functionalised thiaboranes <i>closo</i>-SB_<i>n</i>Br_<i>n</i> (<i>n</i> = 5, 9, 11): the solid-state structure of the octahedral <i>closo</i>-SB₅Br₅, governed by strong dihalogen contacts.
• Authors of publication: Keller, Willi; Ballmann, Joachim; Fanfrlík, Jindřich; Hnyk, Drahomír
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 12
• Pages of publication: 2528 - 2531
• a: 18.6919 ± 0.0002 Å
• b: 12.5245 ± 0.0001 Å
• c: 13.2237 ± 0.0001 Å
• α: 90°
• β: 90.017 ± 0.001°
• γ: 90°
• Cell volume: 3095.76 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No