Information card for entry 4105057

Structure parameters

• Common name: C8H14[OSSO]Zr(CH2Ph)2
• Chemical name: C8H14[OSSO]Zr(CH2Ph)2
• Formula: C52 H72 O2 S2 Zr
• Calculated formula: C52 H72 O2 S2 Zr
• Title of publication: Zirconium Complex of an [OSSO]-Type Diphenolate Ligand Bearing trans-1,2-Cyclooctanediylbis(thio) Core: Synthesis, Structure, and Isospecific 1-Hexene Polymerization
• Authors of publication: Akihiko Ishii; Tomoyuki Toda; Norio Nakata; Tsukasa Matsuo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13566 - 13567
• a: 43.41 ± 0.002 Å
• b: 10.5617 ± 0.0005 Å
• c: 22.0673 ± 0.0011 Å
• α: 90°
• β: 109.356 ± 0.001°
• γ: 90°
• Cell volume: 9545.6 ± 0.8 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.111
• 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