Information card for entry 4065715

Structure parameters

• Formula: C37 H27 Al B F27 N2 O3
• Calculated formula: C37 H27 Al B F27 N2 O3
• SMILES: C1(C)CC(C(F)(F)F)(C(F)(F)F)O[Al]23([N]=1CC[N]2=C(C)CC(C(F)(F)F)(C(F)(F)F)O3)[O](CC)CC.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)C
• Title of publication: A Discrete Five-Coordinated Cationic Aluminum Complex Supported by a Fluorinated Dialkoxy-Diimino Salen-like Ligand: Synthesis, Structure, and Use in Polymerization Catalysis
• Authors of publication: Dagorne, Samuel; Bouyahyi, Miloud; Vergnaud, Jérôme; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1865
• a: 10.2322 ± 0.0002 Å
• b: 12.3745 ± 0.0003 Å
• c: 17.5889 ± 0.0005 Å
• α: 99.809 ± 0.001°
• β: 94.231 ± 0.002°
• γ: 103.523 ± 0.002°
• Cell volume: 2118.62 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No