Information card for entry 5000364

Structure parameters

• Formula: C42 H76 F6 O12 Ti2
• Calculated formula: C42 H76 F6 O12 Ti2
• a: 10.5854 ± 0.0011 Å
• b: 13.3624 ± 0.0013 Å
• c: 9.6285 ± 0.001 Å
• α: 91.619 ± 0.006°
• β: 115.695 ± 0.006°
• γ: 96.79 ± 0.006°
• Cell volume: 1213.8 ± 0.2 ų
• Cell temperature: 104 K
• Ambient diffraction temperature: 104 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 significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2876
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No