Information card for entry 4079464

Structure parameters

• Formula: C60 H74 Cl2 N2 O4 Zr
• Calculated formula: C60 H74 Cl2 N2 O4 Zr
• Title of publication: Titanium and Zirconium Catalysts with [N,O] Ligands: Syntheses, Characterization, and Their Catalytic Properties for Olefin Polymerization
• Authors of publication: Shi, Xiao-Chao; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7198
• a: 16.2341 ± 0.0004 Å
• b: 20.9676 ± 0.0004 Å
• c: 17.6475 ± 0.0003 Å
• α: 90°
• β: 105.982 ± 0.001°
• γ: 90°
• Cell volume: 5774.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No