Information card for entry 7110123

Structure parameters

• Formula: C42 H52 Al2 N4 O2
• Calculated formula: C42 H52 Al2 N4 O2
• SMILES: C[Al]1(C)[N](C2CCN(CC2)Cc2ccccc2)=Cc2cccc(c2O1)c1cccc2c1O[Al]([N](=C2)C1CCN(CC1)Cc1ccccc1)(C)C
• Title of publication: Dinuclear vs. mononuclear complexes: accelerated, metal-dependent ring-opening polymerization of lactide
• Authors of publication: T. Roisnel; J.-F. Carpentier; E. Kirillov
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 11692
• a: 15.3906 ± 0.0012 Å
• b: 41.213 ± 0.003 Å
• c: 55.854 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35428 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F 2 d d
• Hall space group symbol: F -2d 2
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No