Information card for entry 4079964

Structure parameters

• Formula: C58 H66 Al2 N4 O4
• Calculated formula: C58 H66 Al2 N4 O4
• SMILES: C1(CCCC1)N1c2ccccc2[O]2c3ccccc3N(C3CCCC3)[Al]312[O](Cc1ccccc1)[Al]12(N(C4CCCC4)c4ccccc4[O]2c2ccccc2N1C1CCCC1)[O]3Cc1ccccc1
• Title of publication: Synthesis and Structural Characterization of Various N,O,N-Chelated Aluminum and Gallium Complexes for the Efficient ROP of Cyclic Esters and Carbonates: How Do Aluminum and Gallium Derivatives Compare ?
• Authors of publication: Hild, Frédéric; Neehaul, Nirvana; Bier, Frédéric; Wirsum, Morgane; Gourlaouen, Christophe; Dagorne, Samuel
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 587
• a: 10.5947 ± 0.0017 Å
• b: 18.82 ± 0.003 Å
• c: 31.145 ± 0.005 Å
• α: 90°
• β: 105.873 ± 0.005°
• γ: 90°
• Cell volume: 5973.3 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1749
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No