Information card for entry 7123513

Structure parameters

• Formula: C39 H77 Al N O2 Si2 Y
• Calculated formula: C39 H77 Al N O2 Si2 Y
• Title of publication: Pentadienyl migration and abstraction in yttrium aluminabenzene complexes including a single-component catalyst for isoprene polymerization
• Authors of publication: Barisic, Damir; Lebon, Jakob; Maichle-moessmer, Caecilia; Anwander, Reiner
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.622 ± 0.003 Å
• b: 14.892 ± 0.009 Å
• c: 16.656 ± 0.005 Å
• α: 97.74 ± 0.02°
• β: 98.209 ± 0.016°
• γ: 107.16 ± 0.02°
• Cell volume: 2217.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No