Information card for entry 1512266

Structure parameters

• Common name: C8H14[OSSO]Hf(CH2Ph)2
• Chemical name: C8H14[OSSO]Hf(CH2Ph)2
• Formula: C70 H94 Hf O2 S2
• Calculated formula: C70 H94 Hf O2 S2
• Title of publication: Controlled Isospecific Polymerization of α-Olefins by Hafnium Complex Incorporating with atrans-Cyclooctanediyl-Bridged [OSSO]-Type Bis(phenolate) Ligand
• Authors of publication: Nakata, Norio; Toda, Tomoyuki; Matsuo, Tsukasa; Ishii, Akihiko
• Journal of publication: Macromolecules
• Year of publication: 2013
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6758
• a: 10.5199 ± 0.0004 Å
• b: 20.54 ± 0.0007 Å
• c: 29.3486 ± 0.0011 Å
• α: 90°
• β: 98.125 ± 0.001°
• γ: 90°
• Cell volume: 6278 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No