Information card for entry 4069645

Structure parameters

• Formula: C47 H51 Al O2 P2
• Calculated formula: C47 H51 Al O2 P2
• SMILES: [P]1([Al]2([P](c3c(O2)c(cc(c3)C)C(C)(C)C)(c2ccccc2)c2ccccc2)(Oc2c1cc(C)cc2C(C)(C)C)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: 13.824 ± 0.002 Å
• b: 19.157 ± 0.003 Å
• c: 16.243 ± 0.002 Å
• α: 90°
• β: 108.56 ± 0.05°
• γ: 90°
• Cell volume: 4077.9 ± 1.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No