Information card for entry 7719369

Structure parameters

• Formula: C50 H62 Cl O3 P2 Ti
• Calculated formula: C50 H62 Cl O3 P2 Ti
• Title of publication: Tripodal bisphenolate-bisphosphine ligands with hybrid hard/soft donors: titanium complexes and dinitrogen activation.
• Authors of publication: Xiong, Chunyan; Zhang, Jinwei; An, Jingyi; Yuan, Zhiqiang; Li, Zhaoxin; Liu, Yanhong; Hu, Shaowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 14142 - 14149
• a: 10.4694 ± 0.0005 Å
• b: 14.6704 ± 0.0009 Å
• c: 16.5469 ± 0.0008 Å
• α: 68.257 ± 0.005°
• β: 89.943 ± 0.004°
• γ: 77.107 ± 0.004°
• Cell volume: 2291.7 ± 0.2 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 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: 0.1093
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.2786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No