Information card for entry 7134933

Structure parameters

• Chemical name: Titanium complex
• Formula: C49 H60 Cl3 O2 P Ti
• Calculated formula: C49 H60 Cl3 O2 P Ti
• Title of publication: Synthesis and structure of titanium complexes with phosphonium-bisphenolate ligands "{P⁺[O₂]}H₂" and their catalytic trimerization of 1-octene.
• Authors of publication: Toda, Tomoyuki; Cheng, Yu; Takenaka, Katsuhiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 80
• Pages of publication: 15594 - 15597
• a: 15.782 ± 0.0003 Å
• b: 24.6362 ± 0.0005 Å
• c: 12.3944 ± 0.0003 Å
• α: 90°
• β: 106.631 ± 0.002°
• γ: 90°
• Cell volume: 4617.46 ± 0.18 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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: 0.0651
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No