Information card for entry 7123512

Structure parameters

• Formula: C48 H36 Al B F20 Y
• Calculated formula: C48 H36 Al B F20 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: 10.5894 ± 0.0008 Å
• b: 11.8158 ± 0.0009 Å
• c: 20.8872 ± 0.0015 Å
• α: 83.602 ± 0.002°
• β: 80.112 ± 0.002°
• γ: 65.546 ± 0.002°
• Cell volume: 2341.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No