Crystallography Open Database

Information card for entry 2204625

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Coordinates	2204625.cif
Structure factors	2204625.hkl
Original IUCr paper	HTML

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 Å³
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 F_obs	Yes

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