Information card for entry 4326377

Structure parameters

• Formula: C49 H74 Al N O4
• Calculated formula: C49 H74 Al N O4
• SMILES: [Al]123([N](Cc4cc(cc(c4O1)C(C)(C)C)C(C)(C)C)(Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)[O]1CCCC1
• 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: 14.368 ± 0.005 Å
• b: 19.641 ± 0.007 Å
• c: 16.53 ± 0.006 Å
• α: 90°
• β: 92.672 ± 0.004°
• γ: 90°
• Cell volume: 4660 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1708
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No