Information card for entry 7708043

Structure parameters

• Formula: C32 H29 Al Li N3
• Calculated formula: C32 H29 Al Li N3
• SMILES: [Li]([n]1c2c([Al]34CC)cccc2ccc1C)([n]1c2c3cccc2ccc1C)[n]1c2c4cccc2ccc1C
• 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: 12.225 ± 0.0009 Å
• b: 13.9726 ± 0.001 Å
• c: 15.8078 ± 0.0012 Å
• α: 90°
• β: 91.136 ± 0.005°
• γ: 90°
• Cell volume: 2699.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No