Information card for entry 7021704

Structure parameters

• Formula: C87 H96 Al2 N12 O5
• Calculated formula: C87 H96 Al2 N12 O5
• SMILES: [Al]12(Oc3c(n4[n]1c1ccccc1n4)cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c(n3[n]2c2ccccc2n3)cc(cc1C(C)(C)C)C(C)(C)C)O[Al]12(Oc3c(n4[n]2c2ccccc2n4)cc(cc3C(C)(C)C)C(C)(C)C)Oc2c(n3[n]1c1ccccc1n3)cc(cc2C(C)(C)C)C(C)(C)C.Cc1ccccc1
• Title of publication: Synthesis, characterization and reactivity of single-site aluminium amides bearing benzotriazole phenoxide ligands: catalysis for ring-opening polymerization of lactide and carbon dioxide/propylene oxide coupling.
• Authors of publication: Li, Chen-Yu; Liu, Dei-Cheng; Ko, Bao-Tsan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11488 - 11496
• a: 16.6768 ± 0.0006 Å
• b: 19.3674 ± 0.0007 Å
• c: 25.4626 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8224.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No