Information card for entry 4315833

Structure parameters

• Formula: C40 H66 Al Na O4
• Calculated formula: C40 H66 Al Na O4
• SMILES: [Al]2(C)(C)[O](c1c(cc(cc1C(c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)[Na]([O]1CCCC1)[O]1CCCC1
• Title of publication: Bulky Bisphenol Ligand-Supported Aluminum-Sodium Inverse Crown Ether Complex
• Authors of publication: Jincai Wu; Xiaobo Pan; Ning Tang; Chu-Chieh Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5362 - 5364
• a: 20.4466 ± 0.0006 Å
• b: 18.6128 ± 0.0005 Å
• c: 21.8398 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8311.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No