Information card for entry 2205007

Structure parameters

• Chemical name: Poly[[(2-iodopyrazine-κN^4^)copper(I)]-μ~3~-thiocyanato-κ^3^N:S:S]
• Formula: C5 H3 Cu I N3 S
• Calculated formula: C5 H3 Cu I N3 S
• Title of publication: Poly[[(2-iodopyrazine-κ<i>N</i>^4^)copper(I)]-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>]
• Authors of publication: Näther, Christian; Wriedt, Mario; Jeß, Inke
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m329 - m331
• a: 10.6219 ± 0.0007 Å
• b: 7.6529 ± 0.0003 Å
• c: 11.1018 ± 0.0007 Å
• α: 90°
• β: 104.804 ± 0.007°
• γ: 90°
• Cell volume: 872.49 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes