Information card for entry 7719368

Structure parameters

• Chemical name: 6,6'-((2-(diisopropylphosphaneyl)phenyl)phosphanediyl)bis(2,4-di-tert-butylphenol)
• Formula: C40 H60 O2 P2
• Calculated formula: C40 H60 O2 P2
• 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: 12.1606 ± 0.0003 Å
• b: 24.9127 ± 0.0007 Å
• c: 13.66 ± 0.0003 Å
• α: 90°
• β: 98.256 ± 0.002°
• γ: 90°
• Cell volume: 4095.45 ± 0.18 ų
• Cell temperature: 197.15 K
• Ambient diffraction temperature: 197.15 K
• Number of distinct elements: 4
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No