Information card for entry 4068858

Structure parameters

• Formula: C24 H33 N O3 S Ti
• Calculated formula: C24 H33 N O3 S Ti
• SMILES: [Ti]12(Sc3ccccc3[N]2=Cc2cc(C)cc(c2O1)C(C)(C)C)(OC(C)C)OC(C)C
• Title of publication: Syntheses, Reactions, and Ethylene Polymerization of Titanium Complexes with [N, O, S] Ligands
• Authors of publication: Jia, Ai-Quan; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1872
• a: 8.383 ± 0.003 Å
• b: 22.526 ± 0.007 Å
• c: 13.773 ± 0.004 Å
• α: 90°
• β: 105.525 ± 0.004°
• γ: 90°
• Cell volume: 2505.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1142
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No