Information card for entry 4073451

Structure parameters

• Formula: C23 H24 Cl N O2 Ti
• Calculated formula: C23 H24 Cl N O2 Ti
• SMILES: [Ti]123456(Cl)(Oc7c(cc(cc7C=[N]2c2ccccc2O1)C)C(C)(C)C)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Synthesis, Characterization, and Ethylene Polymerization of Group IV Metal Complexes with Mono-Cp and Tridentate Aryloxide or Arylsulfide Ligands
• Authors of publication: Zhang, Jun; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 16
• Pages of publication: 4042
• a: 12.36 ± 0.003 Å
• b: 12.831 ± 0.003 Å
• c: 13.71 ± 0.004 Å
• α: 90°
• β: 105.316 ± 0.004°
• γ: 90°
• Cell volume: 2097.1 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No