Information card for entry 7103400

Structure parameters

• Common name: Compound 3
• Formula: C58 H70 Al2 N4 O2
• Calculated formula: C58 H70 Al2 N4 O2
• Title of publication: Multinuclear alkylaluminium macrocyclic Schiff base complexes: influence of procatalyst structure on the ring opening polymerisation of epsilon-caprolactone.
• Authors of publication: Arbaoui, Abdessamad; Redshaw, Carl; Hughes, David L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4717 - 4719
• a: 10.8444 ± 0.0009 Å
• b: 12.1356 ± 0.0011 Å
• c: 12.3556 ± 0.0011 Å
• α: 113.895 ± 0.009°
• β: 109.772 ± 0.008°
• γ: 99.385 ± 0.007°
• Cell volume: 1311.2 ± 0.2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No