Information card for entry 2204625

Structure parameters

• Chemical name: catena-Poly[[bis(ethylenediamine-κ^2^N,N')copper(II)]-μ~3~- 2,3-dimercaptobutenedinitrile-κ^4^N:S,S':N'-[(2,3-dimercaptobutenedinitrile- κ^4^S,S',N,N')cuprate(II)]]
• Formula: C12 H16 Cu2 N8 S4
• Calculated formula: C12 H16 Cu2 N8 S4
• SMILES: C1(=C(C#N)S[Cu]2(SC(C#N)=C(S2)C#N)S1)C#N.[NH2]1CC[NH2][Cu]21[NH2]CC[NH2]2
• Title of publication: <i>catena</i>-Poly[[bis(ethylenediamine-κ^2^<i>N,N</i>')copper(II)]-μ~3~-1,2-dicyanoethylenedithiolato-κ^4^<i>N</i>:<i>S,S</i>':<i>N</i>'-[(1,2-dicyanoethylenedithiolato-κ^2^<i>S,S</i>')cuprate(II)]]
• Authors of publication: Fu, Ai-Yun; Wang, Da-Qi; Sun, De-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1869 - m1871
• a: 9.535 ± 0.003 Å
• b: 9.72 ± 0.003 Å
• c: 11.955 ± 0.004 Å
• α: 96.928 ± 0.004°
• β: 95.608 ± 0.004°
• γ: 107.68 ± 0.004°
• Cell volume: 1037.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes