Information card for entry 4068678

Structure parameters

• Formula: C39 H48 Al Cl F6 N2 O2
• Calculated formula: C39 H48 Al Cl F6 N2 O2
• SMILES: [Al]123(Cl)[N](C4C([N]1=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)CCCC4)=C(C)CC(O2)(C(F)(F)F)C(F)(F)F.c1ccccc1.c1ccccc1
• Title of publication: Aluminum and Yttrium Complexes of an Unsymmetrical Mixed Fluorous Alkoxy/Phenoxy-Diimino Ligand: Synthesis, Structure, and Ring-Opening Polymerization Catalysis
• Authors of publication: Alaaeddine, Ali; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1469
• a: 11.5325 ± 0.0019 Å
• b: 17.087 ± 0.002 Å
• c: 19.346 ± 0.003 Å
• α: 90°
• β: 96.742 ± 0.006°
• γ: 90°
• Cell volume: 3785.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No