Information card for entry 4068724

Structure parameters

• Formula: C91 H156 Br4 N4 O8 Zr2
• Calculated formula: C91 H152 Br4 N4 O8 Zr2
• 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: 17.9143 ± 0.0004 Å
• b: 15.1552 ± 0.0003 Å
• c: 19.4486 ± 0.0005 Å
• α: 90°
• β: 113.208 ± 0.001°
• γ: 90°
• Cell volume: 4852.93 ± 0.19 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: 0.135
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No