Information card for entry 4501610

Structure parameters

• Formula: C41 H40 N4 O16 Zn2
• Calculated formula: C41 H40 N4 O16 Zn2
• Title of publication: Syntheses, Structures, and Photoluminescence of Five New Metal−Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids
• Authors of publication: Hu, Jin-Song; Shang, Yong-Jia; Yao, Xiao-qiang; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2676
• a: 9.3046 ± 0.0011 Å
• b: 25.778 ± 0.003 Å
• c: 20.4387 ± 0.0018 Å
• α: 90°
• β: 106.475 ± 0.004°
• γ: 90°
• Cell volume: 4701 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1009
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No