Information card for entry 4501986

Structure parameters

• Formula: C60 H40 Cd3 N8 O14
• Calculated formula: C60 H40 Cd3 N8 O14
• Title of publication: Syntheses, Structures, and Photochemical Properties of Six New Metal−Organic Frameworks Based on Aromatic Dicarboxylate Acids and V-Shaped Imidazole Ligands
• 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: 9
• Pages of publication: 4135
• a: 9.961 ± 0.002 Å
• b: 17.75 ± 0.004 Å
• c: 15.444 ± 0.004 Å
• α: 90°
• β: 92.662 ± 0.005°
• γ: 90°
• Cell volume: 2727.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No