Information card for entry 4326378

Structure parameters

• Formula: C60 H89 Al N Na O6
• Calculated formula: C60 H89 Al N Na O6
• SMILES: [Al]1234[N](Cc5c(O2)c(cc(c5)C(C)(C)C)C(C)(C)C)(Cc2cc(cc(c2[O]4[Na]([O]1Cc1ccccc1)([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C(C)(C)C)Cc1c(O3)c(C(C)(C)C)cc(c1)C(C)(C)C
• Title of publication: Multimetallic Synergic Sedation of a Labile Sodium Atrane: Synthesis and Characterization of a Tetranuclear Sodium Atrane Cation Complex
• Authors of publication: Jinfeng Zhang; Ai Liu; XiaoBo Pan; Lihui Yao; Lei Wang; Jianguo Fang; Jincai Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9564 - 9570
• a: 17.507 ± 0.013 Å
• b: 16.057 ± 0.012 Å
• c: 22.567 ± 0.017 Å
• α: 90°
• β: 102.29 ± 0.03°
• γ: 90°
• Cell volume: 6198 ± 8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1819
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No