Information card for entry 4506594

Structure parameters

• Formula: C41 H30 N4 O14 Zn2
• Calculated formula: C41 H30 N4 O14 Zn2
• Title of publication: Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids
• Authors of publication: Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3426
• a: 10.7263 ± 0.0016 Å
• b: 9.0056 ± 0.0013 Å
• c: 12.9899 ± 0.0019 Å
• α: 90°
• β: 104.047 ± 0.003°
• γ: 90°
• Cell volume: 1217.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4506138
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No