Information card for entry 4303644

Structure parameters

• Formula: C4 H4 Cd N8
• Calculated formula: C4 H4 Cd N8
• Title of publication: Ag(I)-Mediated In situ Dehydrogenative Coupling of 3-Amino-1,2,4-triazole into 3,3'-Azobis(1,2,4-triazole) in Cd(II) Coordination Polymers
• Authors of publication: Pei-Xiu Yin; Jian-Kai Cheng; Zhao-Ji Li; Lei Zhang; Ye-Yan Qin; Jian Zhang; Yuan-Gen Yao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10859 - 10861
• a: 8.5883 ± 0.0011 Å
• b: 8.8382 ± 0.0008 Å
• c: 10.0357 ± 0.0011 Å
• α: 90°
• β: 91.114 ± 0.012°
• γ: 90°
• Cell volume: 761.62 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No