Information card for entry 4000310

Structure parameters

• Formula: C44 H60 Co Li2 O8
• Calculated formula: C44 H60 Co Li2 O8
• SMILES: Cc1ccccc1[O]1[Co]2([O](c3ccccc3C)[Li]([O]2c2ccccc2C)([O]2CCCC2)[O]2CCCC2)[O](c2ccccc2C)[Li]1([O]1CCCC1)[O]1CCCC1
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 11.176 ± 0.003 Å
• b: 11.198 ± 0.003 Å
• c: 17.746 ± 0.005 Å
• α: 83.618 ± 0.005°
• β: 83.75 ± 0.005°
• γ: 75.875 ± 0.005°
• Cell volume: 2132.7 ± 1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No