Information card for entry 2218708

Structure parameters

• Chemical name: Poly[{μ~2~-1,2-bis[4-(3-pyridyl)pyrimidin-2-ylsulfanyl]ethane}di-μ~2~- cyanido-dicopper(I)]
• Formula: C11 H8 Cu N4 S
• Calculated formula: C11 H8 Cu N4 S
• SMILES: [Cu]1(C#N)[n]2cccc(c2)c2nc(ncc2)SCCSc2nc(ccn2)c2ccc[n](c2)[Cu](C#N)[N]#C[Cu][n]2cccc(c2)c2nc(ncc2)SCCSc2nc(ccn2)c2ccc[n](c2)[Cu]C#[N]1
• Title of publication: Poly[{μ~2~-1,2-bis[4-(3-pyridyl)pyrimidin-2-ylsulfanyl]ethane}di-μ~2~-cyanido-dicopper(I)]
• Authors of publication: Zhang, Ya-Wen; Dong, Hua-Ze; Cheng, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m868
• a: 16.025 ± 0.004 Å
• b: 16.296 ± 0.007 Å
• c: 9.3103 ± 0.0017 Å
• α: 90°
• β: 105.66 ± 0.019°
• γ: 90°
• Cell volume: 2341.1 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes