Information card for entry 4060211

Structure parameters

• Formula: C28 H44 Cl2 P2 Zr
• Calculated formula: C28 H44 Cl2 P2 Zr
• Title of publication: Divalentansa-Zirconocenes: Stereoselective Synthesis and High Activity for Propylene Polymerization
• Authors of publication: Eugene Y.-X. Chen; Richard E. Campbell; David D. Devore; D. Patrick Green; Bernie Link; Jorge Soto; David R. Wilson; Khalil A. Abboud
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 42 - 43
• a: 9.1306 ± 0.0005 Å
• b: 13.241 ± 0.0007 Å
• c: 24.7714 ± 0.0014 Å
• α: 90°
• β: 94.356 ± 0.001°
• γ: 90°
• Cell volume: 2986.2 ± 0.3 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No