Information card for entry 4089385

Structure parameters

• Formula: C40 H50 Al N3
• Calculated formula: C40 H50 Al N3
• Title of publication: Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone
• Authors of publication: Bakthavachalam, K.; Reddy, N. Dastagiri
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3174
• a: 18.0797 ± 0.0005 Å
• b: 12.3983 ± 0.0003 Å
• c: 31.9357 ± 0.0008 Å
• α: 90°
• β: 99.702 ± 0.002°
• γ: 90°
• Cell volume: 7056.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No