Information card for entry 4501611

Structure parameters

• Formula: C44 H38 Cd2 N5 O13
• Calculated formula: C44 H38 Cd2 N5 O13
• 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: 14.5739 ± 0.0011 Å
• b: 20.8969 ± 0.0015 Å
• c: 32.497 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9896.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No