Information card for entry 4000391

Structure parameters

• Formula: C45 H86 Ce2 O11
• Calculated formula: C44.99 H70 Ce2 O11
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 15.386 ± 0.002 Å
• b: 13.138 ± 0.001 Å
• c: 27.386 ± 0.003 Å
• α: 90°
• β: 104.32 ± 0.01°
• γ: 90°
• Cell volume: 5363.8 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No