Information card for entry 7135277

Structure parameters

• Formula: C54 H78 B2 N14 O4 Ti2
• Calculated formula: C54 H78 B2 N14 O4 Ti2
• 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: 14.5243 ± 0.0003 Å
• b: 15.2715 ± 0.0003 Å
• c: 20.314 ± 0.0003 Å
• α: 102.862 ± 0.0015°
• β: 110.431 ± 0.0018°
• γ: 101.972 ± 0.0018°
• Cell volume: 3910.78 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No