Information card for entry 7135271

Structure parameters

• Formula: C31 H47 B Cl N6 O2 Ti
• Calculated formula: C31 H47 B Cl N6 O2 Ti
• Title of publication: Catalytic Dinitrogen Silylation by Tris(pyrazolyl)borate-Supported Titanium Complexes
• Authors of publication: Liu, Chenrui; Peng, Lingya; Chen, Yumeng; An, Jingyi; Li, Zhaoxin; Huang, Wenshuang; Cui, Ganglong; Hu, Shaowei
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 10.8294 ± 0.0002 Å
• b: 15.1747 ± 0.0002 Å
• c: 20.4317 ± 0.0003 Å
• α: 90°
• β: 94.178 ± 0.001°
• γ: 90°
• Cell volume: 3348.68 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No