Information card for entry 4067915

Structure parameters

• Formula: C37 H31 Al F12 N2 O3
• Calculated formula: C37 H31 Al F12 N2 O3
• SMILES: [Al]12(OC(C)C)([N](c3ccccc3)=C(c3ccccc3)CC(C(F)(F)F)(C(F)(F)F)O1)[N](c1ccccc1)=C(c1ccccc1)CC(C(F)(F)F)(C(F)(F)F)O2
• 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: 9.2914 ± 0.0008 Å
• b: 12.461 ± 0.0012 Å
• c: 16.2362 ± 0.0015 Å
• α: 81.295 ± 0.004°
• β: 82.018 ± 0.004°
• γ: 84.649 ± 0.004°
• Cell volume: 1835.2 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No