Information card for entry 2225106

Structure parameters

• Chemical name: Poly[(μ~2~-3,6-di-4-pyridyl-1,2,4,5-tetrazine)(μ~2~-thiocyanato)copper(I)]
• Formula: C13 H8 Cu N7 S
• Calculated formula: C13 H8 Cu N7 S
• Title of publication: Poly[(μ~2~-3,6-di-4-pyridyl-1,2,4,5-tetrazine)(μ~2~-thiocyanato)copper(I)]
• Authors of publication: Wu, Yiming; Meng, Qinglong; Zhang, Chi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m217
• a: 5.864 ± 0.0012 Å
• b: 18.51 ± 0.004 Å
• c: 6.3993 ± 0.0013 Å
• α: 90°
• β: 104.42 ± 0.03°
• γ: 90°
• Cell volume: 672.7 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes