Information card for entry 4304966

Structure parameters

• Formula: C12 H28 Cd3 N30 O2
• Calculated formula: C12 H28 Cd3 N30 O2
• 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: 12.577 ± 0.007 Å
• b: 15.32 ± 0.007 Å
• c: 8.17 ± 0.004 Å
• α: 90°
• β: 116.062 ± 0.006°
• γ: 90°
• Cell volume: 1414.1 ± 1.2 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No