Information card for entry 4068723

Structure parameters

• Formula: C44 H75 I2 N2 O5.5 Zr
• Calculated formula: C44.5 H70 I2 N2 O5 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: 17.9449 ± 0.0002 Å
• b: 15.2388 ± 0.0002 Å
• c: 19.1755 ± 0.0003 Å
• α: 90°
• β: 112.225 ± 0.0005°
• γ: 90°
• Cell volume: 4854.12 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No