Information card for entry 4110472

Structure parameters

• Formula: C22 H41 Cl N2 Zr
• Calculated formula: C22 H41 Cl N2 Zr
• Title of publication: Living Ziegler-Natta Polymerization by Early Transition Metals: Synthesis and Evaluation of Cationic Zirconium Alkyl Complexes Bearing β-Hydrogens as Models for Propagating Centers
• Authors of publication: Matthew B. Harney; Richard J. Keaton; James C. Fettinger; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 3420 - 3432
• a: 9.2477 ± 0.0006 Å
• b: 30.3164 ± 0.0018 Å
• c: 9.1329 ± 0.0006 Å
• α: 90°
• β: 110.95 ± 0.001°
• γ: 90°
• Cell volume: 2391.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No