Information card for entry 7022920

Structure parameters

• Formula: C55 H47 Al2 Cl3 N2 O2
• Calculated formula: C55 H47 Al2 Cl3 N2 O2
• SMILES: [Al]1(Oc2c(C=[N]1c1c(c3ccccc3)cccc1c1ccccc1)cccc2c1c2O[Al]([N](c3c(c4ccccc4)cccc3c3ccccc3)=Cc2ccc1)(C)C)(C)C.ClC(Cl)Cl
• Title of publication: Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.
• Authors of publication: Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12346 - 12353
• a: 13.0666 ± 0.0006 Å
• b: 13.3996 ± 0.0006 Å
• c: 28.7365 ± 0.0013 Å
• α: 90°
• β: 102.387 ± 0.001°
• γ: 90°
• Cell volume: 4914.3 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• 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: 0.1266
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2687
• Weighted residual factors for all reflections included in the refinement: 0.307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No