Information card for entry 4503645

Structure parameters

• Formula: C2 H2 Cd I N3 S
• Calculated formula: C2 H2 Cd I N3 S
• Title of publication: Anion-Induced Coordination Versatility of 1H-1,2,4-Triazole-3-thiol (HtrzSH) Affording a New Hybrid System of Cadmium(II) Polymers: Synthesis, Structure, and Luminescent Properties
• Authors of publication: Zhang, Rui-Bo; Li, Zhao-Ji; Cheng, Jian-Kai; Qin, Ye-Yan; Zhang, Jian; Yao, Yuan-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2562
• a: 11.056 ± 0.003 Å
• b: 8.26 ± 0.002 Å
• c: 14.512 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1325.3 ± 0.6 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No