Information card for entry 7022921

Structure parameters

• Formula: C38 H50 Al2 Cl0 N2 O2
• Calculated formula: C38 H50 Al2 N2 O2
• SMILES: C[Al]1(C)[N](=Cc2c(c(c3c4c(ccc3)C=[N]([Al](C)(C)O4)C34CC5CC(C3)CC(C4)C5)ccc2)O1)C12CC3CC(C1)CC(C2)C3
• 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: 15.8192 ± 0.0009 Å
• b: 13.1067 ± 0.0008 Å
• c: 18.7852 ± 0.0011 Å
• α: 90°
• β: 104.545 ± 0.001°
• γ: 90°
• Cell volume: 3770 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No