Information card for entry 4063974

Structure parameters

• Formula: C20 H34 Al N5 O
• Calculated formula: C20 H34 Al N5 O
• SMILES: [Al]1([n]2n(c(cc2C)C)C(n2nc(cc2C)C)/C(=N/C(CC)C)O1)(CC)CC
• Title of publication: Neutral and Cationic Aluminum Complexes Supported by Acetamidate and Thioacetamidate Heteroscorpionate Ligands as Initiators for Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Alonso-Moreno, Carlos; Castro-Osma, Jose A.; Márquez-Segovia, I.; Sánchez-Barba, Luis F.; Rodríguez, Ana M.; Garcia-Martinez, Joaquin C.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1507
• a: 10.784 ± 0.005 Å
• b: 9.898 ± 0.008 Å
• c: 22.511 ± 0.009 Å
• α: 90°
• β: 101.262 ± 0.016°
• γ: 90°
• Cell volume: 2357 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.1996
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No