Information card for entry 1572615

Structure parameters

• Formula: C66 H62 Hf2 N4
• Calculated formula: C66 H62 Hf2 N4
• Title of publication: Synthesis of dinuclear pyridyl-amido hafnium and zirconium complexes toward olefin polymerization with unexpected stereospecificity and ultra-high molecular weight capability
• Authors of publication: Xing, Yanhong; Liu, Shaofeng; Li, Zhibo
• Journal of publication: Polymer Chemistry
• Year of publication: 2024
• a: 17.649 ± 0.0004 Å
• b: 12.8229 ± 0.0003 Å
• c: 24.5818 ± 0.0006 Å
• α: 90°
• β: 101.244 ± 0.001°
• γ: 90°
• Cell volume: 5456.4 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No