Information card for entry 7206069

Structure parameters

• Formula: C26 H17 N6 O4.5 Zn
• Calculated formula: C26 H17 N6 O4.5 Zn
• Title of publication: Correlation between the photoactive character and the structures of two novel metal organic frameworks
• Authors of publication: Fu, Zhiyong; Chen, Yuan; Zhang, Jie; Liao, Shijun
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 7895
• a: 15.264 ± 0.003 Å
• b: 12.908 ± 0.003 Å
• c: 24.867 ± 0.005 Å
• α: 90°
• β: 99.4 ± 0.03°
• γ: 90°
• Cell volume: 4833.7 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No