Information card for entry 4089390

Structure parameters

• Formula: C20 H18 Al N5
• Calculated formula: C20 H18 Al N5
• SMILES: [Al]12([n]3c(N=c4n2c(=Nc2[n]1cccc2)c1c4cccc1)cccc3)(C)C
• 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: 7.3638 ± 0.0002 Å
• b: 12.4212 ± 0.0004 Å
• c: 19.5492 ± 0.0006 Å
• α: 95.211 ± 0.002°
• β: 99.89 ± 0.003°
• γ: 90.818 ± 0.002°
• Cell volume: 1753.44 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No