Information card for entry 7719371

Structure parameters

• Formula: C90 H138 Cl4 O5 P4 Ti2
• Calculated formula: C90 H138 Cl4 O5 P4 Ti2
• 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: 10.5896 ± 0.0002 Å
• b: 38.764 ± 0.0005 Å
• c: 11.9374 ± 0.0002 Å
• α: 90°
• β: 111.06 ± 0.002°
• γ: 90°
• Cell volume: 4572.93 ± 0.14 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No