Information card for entry 4063491

Structure parameters

• Formula: C28 H22 Al2 F24 O10
• Calculated formula: C28 H22 Al2 F24 O10
• SMILES: C(C1C=C(C(F)(F)F)[O]2[Al]3([O]=1)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)([O]1[Al]32([O]=C(C=C1C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O3)[O]1CCCC1)[O]1CCCC1)(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: 9.741 ± 0.004 Å
• b: 18.539 ± 0.007 Å
• c: 10.909 ± 0.004 Å
• α: 90°
• β: 107.676 ± 0.01°
• γ: 90°
• Cell volume: 1877 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1669
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No