Information card for entry 4073454

Structure parameters

• Formula: C22 H22 Cl N O3 Zr
• Calculated formula: C22 H22 Cl N O3 Zr
• 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: 8.572 ± 0.003 Å
• b: 14.639 ± 0.004 Å
• c: 15.94 ± 0.005 Å
• α: 90°
• β: 93.075 ± 0.005°
• γ: 90°
• Cell volume: 1997.4 ± 1.1 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: 0.0772
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No