Information card for entry 2222587

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis[2-(1<i>H</i>-1,2,4-triazol-1-yl- κ<i>N</i>^4^)pyrazine]cadmium(II)]-di-μ-thiocyanato- κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>]
• Formula: C14 H10 Cd N12 S2
• Calculated formula: C14 H10 Cd N12 S2
• SMILES: [Cd]1([n]2cnn(c2)c2nccnc2)([n]2cnn(c2)c2nccnc2)SC#[N][Cd](SC#[N]1)([n]1cnn(c1)c1nccnc1)([n]1cnn(c1)c1nccnc1)(N=C=S)SC#N
• Title of publication: <i>catena</i>-Poly[[bis[2-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)pyrazine]cadmium(II)]-di-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>]
• Authors of publication: Li, Hong; Xie, Long Miao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m935
• a: 25.818 ± 0.004 Å
• b: 7.4077 ± 0.001 Å
• c: 11.0276 ± 0.0015 Å
• α: 90°
• β: 113.843 ± 0.002°
• γ: 90°
• Cell volume: 1929.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes