Information card for entry 4110471

Structure parameters

• Formula: C24 H45 Br0.79 Cl0.21 N2 Zr
• Calculated formula: C24 H45 Br0.79 Cl0.21 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: 17.3325 ± 0.0008 Å
• b: 9.5577 ± 0.0004 Å
• c: 17.4875 ± 0.0008 Å
• α: 90°
• β: 113.47 ± 0.001°
• γ: 90°
• Cell volume: 2657.3 ± 0.2 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No