Information card for entry 4000394

Structure parameters

• Formula: C27.6 H23.2 F4.8 N2.4 O4 Si0.4 Zn0.8
• Calculated formula: C27 H20 F4.8 N2.4 O4 Si0.4 Zn0.8
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 12.702 ± 0.003 Å
• b: 14.933 ± 0.004 Å
• c: 20.219 ± 0.004 Å
• α: 102.594 ± 0.005°
• β: 105.874 ± 0.005°
• γ: 103.861 ± 0.005°
• Cell volume: 3412.2 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2176
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No