Information card for entry 4304974

Structure parameters

• Formula: C14 H24 Cd N12 O8
• Calculated formula: C14 H24 Cd N12 O8
• SMILES: C1C(=O)O[Cd]23([n]4nc([nH]c4N)N)([N]1(CC(=O)O)CC[N]2(CC(=O)O3)CC(=O)O)[n]1c([nH]c(n1)N)N
• Title of publication: Synthesis, Structure, and Physical Properties of a New Anions-Controlled Cd(II)-Guanazole (3,5-Diamino-1,2,4-triazole) Hybrid Family
• Authors of publication: Rui-Bo Zhang; Zhao-Ji Li; Ye-Yan Qin; Jian-Kai Cheng; Jian Zhang; Yuan-Gen Yao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4861 - 4876
• a: 21.214 ± 0.007 Å
• b: 8.952 ± 0.002 Å
• c: 14.77 ± 0.005 Å
• α: 90°
• β: 130.485 ± 0.004°
• γ: 90°
• Cell volume: 2133.4 ± 1.1 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No