Information card for entry 4326376

Structure parameters

• Formula: C119 H183 Al N2 Na4 O13
• Calculated formula: C119 H183 Al N2 Na4 O13
• 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)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)C.[Na]([O]1[Na]23[N](Cc4cc(cc(c4[O]3[Na]([O]3CCCC3)[O]3CCCC3)C(C)(C)C)C(C)(C)C)(Cc3cc(cc(c13)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1[O]2[Na]([O]1CCCC1)[O]1CCCC1)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• 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: 16.87 ± 0.04 Å
• b: 20.35 ± 0.05 Å
• c: 21.04 ± 0.05 Å
• α: 73.39 ± 0.03°
• β: 68.25 ± 0.03°
• γ: 87.13 ± 0.03°
• Cell volume: 6416 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.294
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No