Information card for entry 4304968

Structure parameters

• Formula: C8 H18 Cd5 Cl4 N20 O2
• Calculated formula: C8 H18 Cd5 Cl4 N20 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: 9.2003 ± 0.0001 Å
• b: 10.2621 ± 0.0002 Å
• c: 13.9177 ± 0.0003 Å
• α: 90°
• β: 94.773 ± 0.001°
• γ: 90°
• Cell volume: 1309.47 ± 0.04 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 6
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No