Information card for entry 1568471

Structure parameters

• Formula: C16 H16 Al F5 N2
• Calculated formula: C16 H16 Al F5 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: 14.4175 ± 0.0013 Å
• b: 8.7391 ± 0.0008 Å
• c: 14.9864 ± 0.0013 Å
• α: 90°
• β: 110.192 ± 0.001°
• γ: 90°
• Cell volume: 1772.2 ± 0.3 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0835
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No