Information card for entry 5000320

Structure parameters

• Formula: C42 H88 O14 Ti Zr2
• Calculated formula: C42 H88 O14 Ti Zr2
• a: 12.926 ± 0.003 Å
• b: 17.727 ± 0.004 Å
• c: 23.144 ± 0.005 Å
• α: 90°
• β: 102.299 ± 0.011°
• γ: 90°
• Cell volume: 5181.4 ± 1.9 ų
• Cell temperature: 109 K
• Ambient diffraction temperature: 109 K
• Number of distinct elements: 5
• 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: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No