Information card for entry 7123510

Structure parameters

• Formula: C36 H76 Al Li N2 Si4 Y2
• Calculated formula: C36 H76 Al Li N2 Si4 Y2
• 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: 12.0838 ± 0.0004 Å
• b: 20.2609 ± 0.0006 Å
• c: 20.2692 ± 0.0006 Å
• α: 90°
• β: 107.13 ± 0.002°
• γ: 90°
• Cell volume: 4742.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No