Information card for entry 4078649

Structure parameters

• Formula: C54 H68 Cl8 O2 Si Zr
• Calculated formula: C54 H68 Cl8 O2 Si Zr
• Title of publication: 5-Methoxy-Substituted Zirconium Bis-indenylansa-Complexes: Synthesis, Structure, and Catalytic Activity in the Polymerization and Copolymerization of Alkenes
• Authors of publication: Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Churakov, Andrei V.; Mercandelli, Pierluigi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 4962
• a: 29.509 ± 0.002 Å
• b: 9.5058 ± 0.0007 Å
• c: 22.7777 ± 0.0017 Å
• α: 90°
• β: 113.998 ± 0.001°
• γ: 90°
• Cell volume: 5837 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No