Crystallography Open Database

Information card for entry 2204456

2204455 << 2204456 >> 2204457

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Structure parameters

Chemical name	Tris(ethylenediamine-κ^2^N,N')zinc(II) bis[2,3-dimercaptobutenedinitrile(2-)-κ^2^S,S']zincate(II)
Formula	C14 H24 N10 S4 Zn2
Calculated formula	C14 H24 N10 S4 Zn2
SMILES	C(#N)C1S[Zn]2(SC(=C(S2)C#N)C#N)SC=1C#N.C1C[NH2][Zn]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3
Title of publication	Tris(ethylenediamine-κ^2^<i>N,N</i>')zinc(II) bis[2,3-dimercaptobutenedinitrile(2‒)-κ^2^<i>S,S</i>']zincate(II)
Authors of publication	Fu, Ai-Yun; Wang, Da-Qi; Yu, Tao
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	m1736 - m1737
a	12.0231 ± 0.0012 Å
b	14.269 ± 0.003 Å
c	14.559 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2497.7 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1381
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 F_obs	Yes

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