Information card for entry 7715729

Structure parameters

• Formula: C17 H13 B Cl2 N2 O2
• Calculated formula: C17 H13 B Cl2 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: 7.935 ± 0.002 Å
• b: 6.703 ± 0.002 Å
• c: 14.407 ± 0.003 Å
• α: 90°
• β: 94.76 ± 0.02°
• γ: 90°
• Cell volume: 763.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No