Information card for entry 4069648

Structure parameters

• Formula: C49 H39 Al O2 P2
• Calculated formula: C49 H39 Al O2 P2
• SMILES: [P]1([Al]2([P](c3ccccc3)(c3ccccc3)c3c(O2)c(ccc3)c2ccccc2)(Oc2c1cccc2c1ccccc1)C)(c1ccccc1)c1ccccc1
• 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: 11.947 ± 0.005 Å
• b: 28.424 ± 0.005 Å
• c: 13.125 ± 0.005 Å
• α: 90°
• β: 116.471 ± 0.005°
• γ: 90°
• Cell volume: 3990 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No