Information card for entry 2018941

Structure parameters

• Chemical name: <i>catena</i>-Poly[2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) [tetra-μ~2~-thiocyanato-κ^4^<i>S</i>:<i>S</i>;κ^4^<i>S</i>:<i>N</i>-dicopper(I)]]
• Formula: C16 H20 Cu2 N8 S4
• Calculated formula: C8 H10 Cu N4 S2
• Title of publication: A novel two-dimensional CuSCN network templated by 2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) cations
• Authors of publication: Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 610 - 612
• a: 9.6679 ± 0.0008 Å
• b: 9.7024 ± 0.0008 Å
• c: 12.3648 ± 0.001 Å
• α: 90°
• β: 99.969 ± 0.001°
• γ: 90°
• Cell volume: 1142.33 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes