Information card for entry 4332517

Structure parameters

• Formula: C72 H113 Li5 O6
• Calculated formula: C72 H113 Li5 O6
• SMILES: [Li]12[O]34[Li]([O]56[Li]([O]([Li]([O]1c1c(C(c7c4c(cc(c7)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)[O]1CCCC1)c1c(cc(cc1C(c1cc(cc(c61)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)[CH2]2([Li]35)CCC)[O]1CCCC1
• Title of publication: Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation
• Authors of publication: Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7348 - 7356
• a: 13.6331 ± 0.0014 Å
• b: 14.5892 ± 0.0016 Å
• c: 19.921 ± 0.002 Å
• α: 69.698 ± 0.002°
• β: 80.975 ± 0.002°
• γ: 79.289 ± 0.002°
• Cell volume: 3632.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1812
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No