Information card for entry 4110477

Structure parameters

• Formula: C46 H41 B F20 N2 Zr
• Calculated formula: C46 H41 B F20 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: 11.2046 ± 0.0008 Å
• b: 13.3258 ± 0.0009 Å
• c: 17.327 ± 0.0012 Å
• α: 70.929 ± 0.001°
• β: 72.116 ± 0.001°
• γ: 77.017 ± 0.001°
• Cell volume: 2304.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No