Information card for entry 2237600

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(2-chloropyrazine-κ<i>N</i>^4^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Formula: C10 H6 Cd Cl2 N6 S2
• Calculated formula: C10 H6 Cd Cl2 N6 S2
• SMILES: [Cd]1([n]2cc(Cl)ncc2)([n]2cc(Cl)ncc2)(SC#[N][Cd](SC#[N]1)([n]1cc(Cl)ncc1)[n]1cc(Cl)ncc1)(N=C=S)SC#[N]
• Title of publication: <i>catena</i>-Poly[[bis(2-chloropyrazine-κ<i>N</i>^4^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]
• Authors of publication: Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m195
• a: 5.7151 ± 0.0006 Å
• b: 6.7625 ± 0.0008 Å
• c: 11.2915 ± 0.0013 Å
• α: 76.895 ± 0.009°
• β: 82.639 ± 0.009°
• γ: 73.068 ± 0.008°
• Cell volume: 405.7 ± 0.08 ų
• Cell temperature: 293 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes