Information card for entry 4073450

Structure parameters

• Formula: C18 H14 Cl N O2 Ti
• Calculated formula: C18 H14 Cl N O2 Ti
• SMILES: [Ti]123456(Cl)([N](c7c(O1)cccc7)=Cc1ccccc1O2)[cH]1[cH]6[cH]5[cH]4[cH]31
• 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: 10.176 ± 0.0019 Å
• b: 10.457 ± 0.002 Å
• c: 15.517 ± 0.003 Å
• α: 107.959 ± 0.003°
• β: 94.315 ± 0.003°
• γ: 94.627 ± 0.003°
• Cell volume: 1556.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1832
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.673
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No