Information card for entry 4000313

Structure parameters

• Formula: C56 H84 Co Li2 O6
• Calculated formula: C56 H84 Co Li2 O6
• SMILES: CC(C)c1cccc(c1[O]1[Li]([O](c2c(cccc2C(C)C)C(C)C)[Co]21[O]([Li]([O]2c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)C(C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 17.1013 ± 0.0013 Å
• b: 16.7999 ± 0.0013 Å
• c: 19.3768 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5567 ± 0.7 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No