Information card for entry 4073453

Structure parameters

• Formula: C23 H24 Cl N O S Ti
• Calculated formula: C23 H24 Cl N O S Ti
• SMILES: [Ti]123456(Sc7ccccc7[N]2=Cc2cc(cc(c2O1)C(C)(C)C)C)(Cl)[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: 22.415 ± 0.011 Å
• b: 13.398 ± 0.006 Å
• c: 7.215 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2166.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No