Information card for entry 7713948

Structure parameters

• Formula: C10 H10 B Be N7
• Calculated formula: C10 H10 B Be N7
• Title of publication: Gauging ambiphilicity of pseudo-halides via beryllium-trispyrazolylborato compounds
• Authors of publication: Berthold, Chantsalmaa; Müller, Matthias; Ivlev, Sergei; Andrada, Diego M.; Buchner, Magnus Richard
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.8705 ± 0.0003 Å
• b: 13.5299 ± 0.0004 Å
• c: 14.8535 ± 0.0003 Å
• α: 90°
• β: 90.67 ± 0.002°
• γ: 90°
• Cell volume: 2586.36 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No