Information card for entry 4503253

Structure parameters

• Formula: C16 H18 Cd N8 O2 S2
• Calculated formula: C16 H18 Cd N8 O2 S2
• Title of publication: 1D Looped Chain, 1D Tube-like Chain, and 3D Inorganic‒Organic Hybrid Coordination Polymers Assembled from 1,6-Di(triazole-1-yl-methyl)-4-R-phenol and Cadmium(II) Thiocyanate
• Authors of publication: Chu, Zhao-Lian; Zhu, Hai-Bin; Hu, Da-Hua; Huang, Wei; Gou, Shao-Hua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1599
• a: 5.929 ± 0.004 Å
• b: 13.332 ± 0.009 Å
• c: 13.364 ± 0.009 Å
• α: 91.8 ± 0.012°
• β: 94.277 ± 0.013°
• γ: 101.147 ± 0.011°
• Cell volume: 1032.4 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No