Information card for entry 7708046

Structure parameters

• Formula: C52 H58 Al2 Li2 N4 O3
• Calculated formula: C52 H58 Al2 Li2 N4 O3
• SMILES: [Al]12([O]34[Al]5(CC)c6c7[n]([Li]4([O]4CCCC4)[n]4(c(ccc8c4c5ccc8)C)[Li]3([n]3c4c1cccc4ccc3C)[n]1c3c2cccc3ccc1C)c(ccc7ccc6)C)CC.O1CCCC1
• Title of publication: Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands
• Authors of publication: Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.8075 ± 0.0002 Å
• b: 13.5483 ± 0.0003 Å
• c: 16.8949 ± 0.0004 Å
• α: 88.7384 ± 0.001°
• β: 80.4185 ± 0.0011°
• γ: 70.985 ± 0.0009°
• Cell volume: 2304.81 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No