Information card for entry 4000312

Structure parameters

• Formula: C52 H76 Co Li2 O8
• Calculated formula: C52 H76 Co Li2 O8
• SMILES: CC(C)c1ccccc1[O]1[Co]2([O]([Li]([O]2c2ccccc2C(C)C)([O]2CCCC2)[O]2CCCC2)c2ccccc2C(C)C)[O](c2ccccc2C(C)C)[Li]1([O]1CCCC1)[O]1CCCC1
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 16.0665 ± 0.0017 Å
• b: 14.3438 ± 0.0015 Å
• c: 22.459 ± 0.002 Å
• α: 90°
• β: 91.746 ± 0.002°
• γ: 90°
• Cell volume: 5173.3 ± 0.9 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1091
• 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