Information card for entry 4067910

Structure parameters

• Formula: C20 H20 Al F6 N O
• Calculated formula: C20 H20 Al F6 N O
• SMILES: [Al]1(C)(C)[N](Cc2ccccc2)=C(c2ccccc2)CC(C(F)(F)F)(C(F)(F)F)O1
• Title of publication: Aluminum Complexes of Bidentate Fluorinated Alkoxy-Imino Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1458
• a: 17.8298 ± 0.0009 Å
• b: 12.4955 ± 0.0007 Å
• c: 19.9327 ± 0.0009 Å
• α: 90°
• β: 113.157 ± 0.002°
• γ: 90°
• Cell volume: 4083.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No