Information card for entry 7135270

Structure parameters

• Formula: C27 H39 B Cl N6 O2 Ti
• Calculated formula: C27 H39 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: 10.5793 ± 0.0001 Å
• b: 15.3351 ± 0.0002 Å
• c: 18.0389 ± 0.0002 Å
• α: 90°
• β: 94.362 ± 0.001°
• γ: 90°
• Cell volume: 2918.06 ± 0.06 ų
• Cell temperature: 100.1 ± 0.5 K
• Ambient diffraction temperature: 100.1 ± 0.5 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: 0.0484
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No