Information card for entry 4505504

Structure parameters

• Formula: C8 H5 Cd N5 O4
• Calculated formula: C8 H5 Cd N5 O4
• Title of publication: Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties
• Authors of publication: Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1282
• a: 7.9459 ± 0.0016 Å
• b: 10.56 ± 0.002 Å
• c: 11.698 ± 0.002 Å
• α: 90°
• β: 105.25 ± 0.03°
• γ: 90°
• Cell volume: 947 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No