Crystallography Open Database

Information card for entry 2204549

2204548 << 2204549 >> 2204550

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Coordinates	2204549.cif
Structure factors	2204549.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ-N,N-bis(2-hydroxyethyl)dithiocarbamato]- 1:2κ^3^S,S':S';2:1κ^3^S,S':S'-bis{[N,N-bis(2- hydroxyethyl)dithiocarbamato-κ^2^S,S']cadmium(II)}
Formula	C20 H40 Cd2 N4 O8 S8
Calculated formula	C20 H40 Cd2 N4 O8 S8
SMILES	C1(N(CCO)CCO)=[S][Cd]23(S1)[S]1[Cd]4([S]=C(N(CCO)CCO)S4)([S]=C1N(CCO)CCO)[S]3C(N(CCO)CCO)=[S]2
Title of publication	Bis[μ-<i>N,N</i>-bis(2-hydroxyethyl)dithiocarbamato]-1:2κ^3^<i>S,S</i>':<i>S</i>';2:1κ^3^<i>S,S</i>':<i>S</i>'-bis{[<i>N,N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S,S</i>']cadmium(II)}
Authors of publication	Zhong, Yun; Zhang,Weiguang; Fan, Jun; Tan, Mingyu; Chian, Sing Lai; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	m1633 - m1635
a	8.1588 ± 0.001 Å
b	8.304 ± 0.001 Å
c	25.008 ± 0.003 Å
α	90°
β	93.956 ± 0.002°
γ	90°
Cell volume	1690.3 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.33
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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