Information card for entry 4067914

Structure parameters

• Formula: C36 H39 Al F12 N2 O3
• Calculated formula: C36 H39 Al F12 N2 O3
• SMILES: [Al]12(OC(C)C)([N](Cc3ccccc3)=C(C)CC(C(F)(F)F)(C(F)(F)F)O1)[N](Cc1ccccc1)=C(C)CC(C(F)(F)F)(C(F)(F)F)O2.Cc1ccccc1
• 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: 19.199 ± 0.002 Å
• b: 10.2345 ± 0.0011 Å
• c: 20.423 ± 0.002 Å
• α: 90°
• β: 112.577 ± 0.004°
• γ: 90°
• Cell volume: 3705.4 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2228
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No