Information card for entry 5000429

Structure parameters

• Formula: C60 H126 O21 Zr4
• Calculated formula: C60 H124 O21 Zr4
• Authors of publication: Huffman, John C.
• Journal of publication: Reciprocal Net (Indiana University Molecular Structure Center)
• a: 16.467 ± 0.005 Å
• b: 19.97 ± 0.006 Å
• c: 23.732 ± 0.006 Å
• α: 90°
• β: 106.073 ± 0.014°
• γ: 90°
• Cell volume: 7499 ± 4 ų
• Cell temperature: 95 K
• Ambient diffraction temperature: 95 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0976
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No