Information card for entry 4082524

Structure parameters

• Formula: C49 H67 N2 O4 Si2 Y
• Calculated formula: C49 H67 N2 O4 Si2 Y
• SMILES: [Y]12([n]3c(cccc3c3c(O2)c(cc(c3)C)C(C)(C)c2ccccc2)c2c(O1)c(cc(c2)C)C(C)(C)c1ccccc1)(N([SiH](C)C)[SiH](C)C)([O]1CCCC1)[O](CC)CC
• Title of publication: Yttrium– and Aluminum–Bis(phenolate)pyridine Complexes: Catalysts and Model Compounds of the Intermediates for the Stereoselective Ring-Opening Polymerization of Racemic Lactide and β-Butyrolactone
• 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: 1
• Pages of publication: 309
• a: 12.896 ± 0.002 Å
• b: 25.405 ± 0.003 Å
• c: 15.536 ± 0.002 Å
• α: 90°
• β: 110.122 ± 0.005°
• γ: 90°
• Cell volume: 4779.3 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No