Information card for entry 4110476

Structure parameters

• Formula: C23 H44 N2 Zr
• Calculated formula: C23 H44 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: 8.8883 ± 0.0005 Å
• b: 9.2527 ± 0.0005 Å
• c: 16.336 ± 0.0009 Å
• α: 88.725 ± 0.001°
• β: 84.768 ± 0.001°
• γ: 65.939 ± 0.001°
• Cell volume: 1221.48 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No