Information card for entry 1519691

Structure parameters

• Formula: C28 H52 N2 Zr
• Calculated formula: C28 H52 N2 Zr
• Title of publication: Synthetic Optimization and Scale-Up of Imino‒Amido Hafnium and Zirconium Olefin Polymerization Catalysts
• Authors of publication: Zhang, Chunming; Pan, Heqi; Klosin, Jerzy; Tu, Siyu; Jaganathan, Arvind; Fontaine, Philip P.
• Journal of publication: Organic Process Research & Development
• Year of publication: 2015
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 1383
• a: 9.7837 ± 0.0005 Å
• b: 17.3161 ± 0.001 Å
• c: 17.4313 ± 0.001 Å
• α: 80.898 ± 0.003°
• β: 88.203 ± 0.003°
• γ: 89.242 ± 0.003°
• Cell volume: 2914.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No