Information card for entry 4000389

Structure parameters

• Formula: C48 H104 Ce2 O8
• Calculated formula: C48 H104 Ce2 O8
• SMILES: CC(C([O]1[Ce](OC(C(C)C)(C)C)(OC(C(C)C)(C)C)(OC(C(C)C)(C)C)[O]([Ce]1(OC(C(C)C)(C)C)(OC(C(C)C)(C)C)OC(C(C)C)(C)C)C(C(C)C)(C)C)(C)C)C
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 11.1447 ± 0.0005 Å
• b: 14.6246 ± 0.0006 Å
• c: 17.5317 ± 0.0008 Å
• α: 89.129 ± 0.001°
• β: 83.068 ± 0.001°
• γ: 83.56 ± 0.001°
• Cell volume: 2818.6 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No