Information card for entry 4081050

Structure parameters

• Formula: C22 H29 Cl2 N Ti
• Calculated formula: C22 H29 Cl2 N Ti
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Ti]3456(N(C1CCCCC1)Cc1c2cccc1)(Cl)Cl)C)C)C
• Title of publication: New Titanium(IV) Complexes with 2-Cyclopentadienylbenzylamido Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization and Copolymerization with 1-Hexene
• Authors of publication: Tao, Xin; Wu, Qiaolin; Huo, Hang; Gao, Wei; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4185
• a: 14.9843 ± 0.0011 Å
• b: 8.5523 ± 0.0007 Å
• c: 17.6183 ± 0.0013 Å
• α: 90°
• β: 108.404 ± 0.001°
• γ: 90°
• Cell volume: 2142.3 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No