Information card for entry 2219640

Structure parameters

• Chemical name: catena-Poly[[bis[2-chloro-6-(1<i>H</i>-1,2,4-triazol-1-yl- κN^4^)pyridine]cadmium(II)]-di-μ-thiocyanato-κ^2^N:S;κ^2^S:N]
• Formula: C16 H10 Cd Cl2 N10 S2
• Calculated formula: C16 H10 Cd Cl2 N10 S2
• SMILES: S=C=N[Cd]1(SC#N)([n]2cn(nc2)c2nc(Cl)ccc2)([n]2cn(nc2)c2nc(Cl)ccc2)SC#[N][Cd](SC#[N]1)([n]1cn(nc1)c1nc(Cl)ccc1)[n]1cn(nc1)c1nc(Cl)ccc1
• Title of publication: <i>catena</i>-Poly[[bis[2-chloro-6-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)pyridine]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]: a one-dimensional coordination polymer
• Authors of publication: Yang, Zhong Nian; Sun, Ting Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1327
• a: 5.7525 ± 0.0011 Å
• b: 8.018 ± 0.0015 Å
• c: 12.212 ± 0.002 Å
• α: 107.609 ± 0.003°
• β: 90.095 ± 0.002°
• γ: 91.95 ± 0.003°
• Cell volume: 536.51 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes