Information card for entry 4078546

Structure parameters

• Formula: C40 H38 Cl2 Si Zr
• Calculated formula: C40 H38 Cl2 Si Zr
• Title of publication: Novel Effective Racemoselective Method for the Synthesis ofansa-Zirconocenes and Its Use for the Preparation ofC2-Symmetric Complexes Based on 2-Methyl-4-aryltetrahydro(s)indacene as Catalysts for Isotactic Propylene Polymerization and Ethylene‒Propylene Copolymerization
• Authors of publication: Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Churakov, Andrei V.; Chevalier, Reynald
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4340
• a: 12.2934 ± 0.0007 Å
• b: 32.976 ± 0.0019 Å
• c: 17.3876 ± 0.001 Å
• α: 90°
• β: 107.69 ± 0.001°
• γ: 90°
• Cell volume: 6715.4 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No