Information card for entry 4069646

Structure parameters

• Formula: C99 H102 Al O3 P3
• Calculated formula: C99 H102 Al O3 P3
• SMILES: [P]1([Al]23([P](c4c(O2)c(cc(c4)C)C(C)(C)C)(c2ccccc2)c2ccccc2)([P](c2c(O3)c(cc(c2)C)C(C)(C)C)(c2ccccc2)c2ccccc2)Oc2c1cc(C)cc2C(C)(C)C)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.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: 13.263 ± 0.001 Å
• b: 14.094 ± 0.002 Å
• c: 23.695 ± 0.004 Å
• α: 103.31 ± 0.05°
• β: 90.52 ± 0.05°
• γ: 103.92 ± 0.05°
• Cell volume: 4174 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2558
• Residual factor for significantly intense reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.2698
• Weighted residual factors for all reflections included in the refinement: 0.3213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No