Information card for entry 1568473

Structure parameters

• Formula: C18 H19 Al F6 N2
• Calculated formula: C18 H19 Al F6 N2
• Title of publication: Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization
• Authors of publication: Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing
• Journal of publication: Polymer Chemistry
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 980 - 989
• a: 8.5573 ± 0.0006 Å
• b: 8.8128 ± 0.0006 Å
• c: 13.3517 ± 0.0009 Å
• α: 87.309 ± 0.001°
• β: 77.928 ± 0.001°
• γ: 89.453 ± 0.001°
• Cell volume: 983.55 ± 0.12 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No