Information card for entry 7714259

Structure parameters

• Formula: C18 H9 B Cl6 O3
• Calculated formula: C18 H9 B Cl6 O3
• Title of publication: Reactivity of a series of triaryl borates, B(OArx)3, in hydroboration catalysis
• Authors of publication: Sokolnicki, Tomasz; Alharbi, Mashael; van Ingen, Yara; Rahim, Shahnaz; Pramanik, Milan; Roldan, Alberto; Walkowiak, Jedrzej; Melen, Rebecca
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.3506 ± 0.0007 Å
• b: 13.3506 ± 0.0007 Å
• c: 21.3882 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3301.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No