Information card for entry 7719736

Structure parameters

• Formula: C48 H54 Al2 I4 N4
• Calculated formula: C48 H54 Al2 I4 N4
• Title of publication: Tetra- and penta-coordinated aluminum complexes with bis-amidine ligands and their reactivity for efficient CO₂ transformation to cyclic carbonates.
• Authors of publication: Acuña, Alejandra; Villegas-Escobar, Nery; Gómez Zamorano, Fernando; Keim-Gyllen, Nicole; Mallet-Ladeira, Sonia; Maerten, Eddy; Madec, David; Rojas, René S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 17180 - 17188
• a: 13.0156 ± 0.0003 Å
• b: 13.0496 ± 0.0003 Å
• c: 29.8921 ± 0.0007 Å
• α: 90°
• β: 98.306 ± 0.001°
• γ: 90°
• Cell volume: 5023.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No