Information card for entry 4332521

Structure parameters

• Formula: C55 H105 Li3 N9 O6 P3
• Calculated formula: C55 H105 Li3 N9 O6 P3
• SMILES: [Li]12([O]3[Li]([O]2([Li]([O]1c1c(C(c2c3c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)[O]=P(N(C)C)(N(C)C)N(C)C)Cc1ccccc1)[O]=P(N(C)C)(N(C)C)N(C)C)[O]=P(N(C)C)(N(C)C)N(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: 11.3654 ± 0.0009 Å
• b: 13.975 ± 0.001 Å
• c: 22.8886 ± 0.0018 Å
• α: 79.727 ± 0.002°
• β: 78.357 ± 0.002°
• γ: 84.433 ± 0.002°
• Cell volume: 3496.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1998
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No