Information card for entry 2238296

Structure parameters

• Chemical name: Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]
• Formula: C4 H3 Cd N3 S2
• Calculated formula: C4 H3 Cd N3 S2
• Title of publication: Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]
• Authors of publication: Reinert, Thorben; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m398
• a: 13.0939 ± 0.0007 Å
• b: 8.9752 ± 0.0005 Å
• c: 14.2986 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1680.38 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes