Information card for entry 7709452

Structure parameters

• Formula: C48 H42 Al Li3 O18
• Calculated formula: C48 H42 Al Li3 O18
• SMILES: [Al]12345[O]([Li]678[O]4([Li]4([O]95[Li]5([O]2c2ccccc2C(=[O]3)OC)([O]=C(c2c9cccc2)OC)[O]4c2ccccc2C(=[O]5)OC)[O]7c2ccccc2C(=[O]8)OC)c2ccccc2C(=[O]6)OC)c2ccccc2C(=[O]1)OC
• Title of publication: Use of group 13 aryloxides for the synthesis of green chemicals and oxide materials
• Authors of publication: Petrus, Rafał; Utko, Józef; Petrus, Joanna Katarzyna; Awashra, Mohammad; Lis, Tadeusz
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.879 ± 0.002 Å
• b: 23.291 ± 0.004 Å
• c: 17.296 ± 0.003 Å
• α: 90°
• β: 105.41 ± 0.03°
• γ: 90°
• Cell volume: 4613.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No