Information card for entry 4068726

Structure parameters

• Formula: C62.5 H61.5 Cl2 N2 O2 Zr
• Calculated formula: C62.5 H61.5 Cl2 N2 O2 Zr
• Title of publication: C1-Symmetric Zirconium Complexes of [ONNO′]-Type Salan Ligands: Accurate Control of Catalyst Activity, Isospecificity, and Molecular Weight in 1-Hexene Polymerization
• Authors of publication: Cohen, Ad; Kopilov, Jacob; Goldberg, Israel; Kol, Moshe
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1391
• a: 14.7085 ± 0.0002 Å
• b: 25.8794 ± 0.0003 Å
• c: 27.7465 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10561.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No