Information card for entry 4063490

Structure parameters

• Formula: C37 H33 Al3 F30 O14
• Calculated formula: C37 H33 Al3 F30 O14
• SMILES: [Al]123([O](C(C)C)[Al]45(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)([O](C(C)C)[Al]56([O]=C(C=C(O6)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O5)C(F)(F)F)C(F)(F)F)[O]4C(C)C)[O]1C(C)C)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F
• Title of publication: Aluminum Complexes of Fluorinated β-Diketonate Ligands: Syntheses, Structures, Intramolecular Reduction, and Use in Ring-Opening Polymerization of Lactide
• Authors of publication: Bouyahyi, Miloud; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 491 - 500
• a: 10.3008 ± 0.0008 Å
• b: 15.9639 ± 0.0016 Å
• c: 16.4759 ± 0.0016 Å
• α: 79.265 ± 0.005°
• β: 87.784 ± 0.005°
• γ: 89.005 ± 0.005°
• Cell volume: 2659.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2624
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.2771
• Weighted residual factors for all reflections included in the refinement: 0.3623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No