Information card for entry 4110470

Structure parameters

• Formula: C22 H41 Br N2 Zr
• Calculated formula: C22 H41 Br 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: 8.9207 ± 0.0011 Å
• b: 9.2385 ± 0.0012 Å
• c: 16.376 ± 0.002 Å
• α: 90.222 ± 0.002°
• β: 94.385 ± 0.002°
• γ: 115.936 ± 0.002°
• Cell volume: 1209.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No