Information card for entry 7715731

Structure parameters

• Formula: C17 H13 B F2 N2 O2
• Calculated formula: C17 H13 B F2 N2 O2
• Title of publication: Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes
• Authors of publication: Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 15.378 ± 0.003 Å
• b: 6.8 ± 0.002 Å
• c: 13.574 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1419.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No