Information card for entry 4332522

Structure parameters

• Formula: C72 H114 Li6 O9
• Calculated formula: C72 H114 Li6 O9
• SMILES: [Li]12[O]3[Li]45[O]6([Li]78[O]14([Li]1[O]42[Li]2([O]([Li]6[O]712CC[O]8CC)c1c(C(c2c4c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)[O]1CCCC1)CC[O]5CC)c1c(C(c2c3c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C
• 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: 22.535 ± 0.002 Å
• b: 19.1567 ± 0.0018 Å
• c: 18.9544 ± 0.0018 Å
• α: 90°
• β: 114.063 ± 0.002°
• γ: 90°
• Cell volume: 7471.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2075
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No