Information card for entry 4069647

Structure parameters

• Formula: C65 H51 Al B F15 O2 P2
• Calculated formula: C65 H51 Al B F15 O2 P2
• SMILES: [P]1([Al]2([P](c3c(O2)c(cc(c3)C)C(C)(C)C)(c2ccccc2)c2ccccc2)Oc2c1cc(cc2C(C)(C)C)C)(c1ccccc1)c1ccccc1.Fc1c(c(F)c(F)c(F)c1F)[B-](C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and Structure of Neutral and Cationic Aluminum Complexes Supported by BidentateO,P-Phosphinophenolate Ligands and Their Reactivity with Propylene Oxide and ε-Caprolactone
• Authors of publication: Haddad, Mansour; Laghzaoui, Mohamed; Welter, Richard; Dagorne, Samuel
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4584
• a: 12.811 ± 0.002 Å
• b: 15.182 ± 0.002 Å
• c: 15.739 ± 0.003 Å
• α: 85.33 ± 0.006°
• β: 78.03 ± 0.007°
• γ: 83.36 ± 0.005°
• Cell volume: 2969.3 ± 0.8 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: 0.1036
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No