Information card for entry 4082851

Structure parameters

• Formula: C62 H46 Al N O2 Si2
• Calculated formula: C62 H46 Al N O2 Si2
• SMILES: [Al]12(C)[n]3c(c4c(O1)c(cc1ccccc41)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)cccc3c1c(O2)c(cc2ccccc12)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: DiscreteO-Lactate and β-Alkoxybutyrate Aluminum Pyridine‒Bis(naphtholate) Complexes: Models for Mechanistic Investigations in the Ring-Opening Polymerization of Lactides and β-Lactones
• Authors of publication: Klitzke, Joice S.; Roisnel, Thierry; Kirillov, Evgeny; Casagrande, Osvaldo de L.; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5693
• a: 11.3014 ± 0.0002 Å
• b: 18.2532 ± 0.0003 Å
• c: 27.83 ± 0.0005 Å
• α: 90°
• β: 92.879 ± 0.001°
• γ: 90°
• Cell volume: 5733.71 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No