Information card for entry 7021703

Structure parameters

• Formula: C133 H162 Al3 N21 O6
• Calculated formula: C133 H162 Al3 N21 O6
• 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)N(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: 12.701 ± 0.0004 Å
• b: 22.7753 ± 0.0007 Å
• c: 23.5347 ± 0.0007 Å
• α: 108.709 ± 0.002°
• β: 99.543 ± 0.002°
• γ: 90.084 ± 0.002°
• Cell volume: 6348 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1035
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No