Information card for entry 4072189

Structure parameters

• Formula: C22 H30 Al Cl F12 N2 O2
• Calculated formula: C22 H30 Al Cl F12 N2 O2
• SMILES: [Al]123(Cl)[N](CC[N]2=C(C(C)C)C(C)(C)C(O3)(C(F)(F)F)C(F)(F)F)=C(C(C)C)C(C)(C)C(O1)(C(F)(F)F)C(F)(F)F
• Title of publication: Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5815
• a: 12.2935 ± 0.0007 Å
• b: 25.7402 ± 0.0014 Å
• c: 33.4121 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10572.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No