Information card for entry 4511330

Structure parameters

• Formula: C20 H16 Cd0.5 N9 O4
• Calculated formula: C20 H16 Cd0.5 N9 O4
• Title of publication: Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions
• Authors of publication: Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1058
• a: 7.8585 ± 0.0016 Å
• b: 8.6387 ± 0.0018 Å
• c: 17.281 ± 0.004 Å
• α: 78.394 ± 0.003°
• β: 83.515 ± 0.003°
• γ: 65.892 ± 0.003°
• Cell volume: 1048.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No