Information card for entry 7022644

Structure parameters

• Formula: C38 H45 Al N10 O2
• Calculated formula: C38 H45 Al N10 O2
• SMILES: [Al]12(O/C(=N\c3ccccc3)C(n3[n]2c(cc3C)C)n2nc(cc2C)C)(OC(=N\c2ccccc2)/C(n2[n]1c(cc2C)C)n1nc(cc1C)C)CC
• Title of publication: Synthesis, structural characterization and catalytic evaluation of the ring-opening polymerization of discrete five-coordinate alkyl aluminium complexes.
• Authors of publication: Castro-Osma, Jose A; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Rodríguez, Ana M; Sánchez-Barba, Luis F; García-Martínez, Joaquín C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9325 - 9337
• a: 11.3249 ± 0.0013 Å
• b: 12.5257 ± 0.0015 Å
• c: 14.309 ± 0.002 Å
• α: 76.246 ± 0.004°
• β: 85.353 ± 0.005°
• γ: 74.044 ± 0.004°
• Cell volume: 1895.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.171
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No