Information card for entry 7714378

Structure parameters

• Formula: B11 Cl11 Se
• Calculated formula: B11 Cl11 Se
• SMILES: [Se]1234[B]567(Cl)[B]891(Cl)[B]1%102(Cl)[B]2%113(Cl)[B]345(Cl)[B]45%11(Cl)[B]%11%102(Cl)[B]291(Cl)[B]168(Cl)[B]734(Cl)[B]5%1121Cl
• Title of publication: Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of <i>closo</i>-1-SeB₉Cl₉ and the crystal structure of <i>closo</i>-SeB₁₁Cl₁₁.
• Authors of publication: Keller, Willi; Hofmann, Matthias; Wadepohl, Hubert; Enders, Markus; Fanfrlík, Jindřich; Hnyk, Drahomír
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 8.8503 ± 0.00009 Å
• b: 26.9786 ± 0.0002 Å
• c: 9.14388 ± 0.00009 Å
• α: 90°
• β: 118.799 ± 0.0014°
• γ: 90°
• Cell volume: 1913.24 ± 0.04 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No