Information card for entry 2223311

Structure parameters

• Chemical name: Poly[bis-μ~1,3~-thiocyanato-bis[2-(1<i>H</i>-1,2,3-triazol-1-yl- κ<i>N</i>)pyrazine]cadmium(II)]
• Formula: C14 H10 Cd N12 S2
• Calculated formula: C14 H10 Cd N12 S2
• Title of publication: Poly[di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-bis[2-(1<i>H</i>-1,2,3-triazol-1-yl-κ<i>N</i>^3^)pyrazine]cadmium(II)]
• Authors of publication: Liu, Cheng Qi; Xie, Long Miao; Zhao, Ming Gen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1211
• a: 12.5038 ± 0.0015 Å
• b: 10.724 ± 0.0013 Å
• c: 7.3196 ± 0.0009 Å
• α: 90°
• β: 106.476 ± 0.002°
• γ: 90°
• Cell volume: 941.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes