Information card for entry 2204626

Structure parameters

• Chemical name: Tris(ethylenediamine-κ^2^N,N')cadmium(II) bis[2,3-dimercaptobutenedinitrile(2-)-κ^2^S,S']cuprate(II)
• Formula: C14 H24 Cd Cu N10 S4
• Calculated formula: C14 H24 Cd Cu N10 S4
• SMILES: C(#N)C1S[Cu]2(SC(=C(S2)C#N)C#N)SC=1C#N.C1C[NH2][Cd]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2
• Title of publication: Tris(ethylenediamine-κ^2^<i>N,N</i>')cadmium(II) bis(1,2-dicyanoethylenedithiolato-κ^2^<i>S,S</i>')cuprate(II)
• Authors of publication: Wang, Da-Qi; Fu, Ai-Yun; Wei, Xi-Lian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1872 - m1874
• a: 13.49 ± 0.003 Å
• b: 12.103 ± 0.002 Å
• c: 15.62 ± 0.003 Å
• α: 90°
• β: 101.331 ± 0.003°
• γ: 90°
• Cell volume: 2500.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes