Information card for entry 7032015

Structure parameters

• Formula: C6 H15 Br2 Sb
• Calculated formula: C6 H15 Br2 Sb
• SMILES: [Sb](Br)(Br)(CC)(CC)CC
• Title of publication: The bonding situation in triethylchalcogenostiboranes - polarized single bonds vs. double bonds.
• Authors of publication: Heimann, Stefan; Bläser, Dieter; Wölper, Christoph; Haack, Rebekka; Jansen, Georg; Schulz, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14772 - 14777
• a: 11.5607 ± 0.0006 Å
• b: 10.8911 ± 0.0006 Å
• c: 8.6408 ± 0.0004 Å
• α: 90°
• β: 96.575 ± 0.003°
• γ: 90°
• Cell volume: 1080.8 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0355
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No