Information card for entry 2208900

Structure parameters

• Chemical name: Bis[4-(dimethylamino)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')cuprate(II)
• Formula: C22 H22 Cu N8 S4
• Calculated formula: C22 H22 Cu N8 S4
• SMILES: c1cc(cc[nH+]1)N(C)C.[Cu]12(SC(=C(C#N)S1)C#N)SC(=C(C#N)S2)C#N.c1cc(cc[nH+]1)N(C)C
• Title of publication: Bis[4-(dimethylamino)pyridinium] bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)
• Authors of publication: H. Zhou; X.-M. Ren
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m1119 - m1121
• a: 12.271 ± 0.002 Å
• b: 6.0279 ± 0.0011 Å
• c: 17.236 ± 0.003 Å
• α: 90°
• β: 101.219 ± 0.004°
• γ: 90°
• Cell volume: 1250.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes