Information card for entry 7135267

Structure parameters

• Formula: C114 H75 N3 O6
• Calculated formula: C114 H75 N3 O6
• 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: 21.5241 ± 0.0006 Å
• b: 26.661 ± 0.0004 Å
• c: 42.4881 ± 0.0014 Å
• α: 90°
• β: 100.448 ± 0.003°
• γ: 90°
• Cell volume: 23977.7 ± 1.1 ų
• Cell temperature: 180 ± 0.11 K
• Ambient diffraction temperature: 180 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No