Information card for entry 7064065

Structure parameters

• Formula: C60 H72 Al2 N2 O8
• Calculated formula: C60 H72 Al2 N2 O8
• Title of publication: Synthesis, structure and DFT calculation of bi- and tridentate ketiminate ligand-assisted aluminum complexes: potential catalyst for styrene oxide–CO2 cycloaddition reaction
• Authors of publication: Chao, Yu-Chieh; Hung, Yu-Hsuan; Su, Yu-Chia; Ko, Bao-Tsan; Cheng, Ban-Jing; Hu, Ching-Han; Ting, Chien-Ling; Liu, Guan-Lin; Dehury, Budheswar; Huang, Jui-Hsien; Datta, Amitabha
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 19269 - 19280
• a: 11.4459 ± 0.0006 Å
• b: 12.9358 ± 0.0007 Å
• c: 13.0353 ± 0.0007 Å
• α: 118.024 ± 0.002°
• β: 92.605 ± 0.002°
• γ: 108.159 ± 0.002°
• Cell volume: 1575.96 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0801
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No