Crystallography Open Database

Information card for entry 2241453

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Structure parameters

Chemical name	Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>'](piperazine-κ<i>N</i>)cadmium
Formula	C16 H34 Cd N4 O2 S4
Calculated formula	C16 H34 Cd N4 O2 S4
SMILES	[Cd]12([S]=C(S1)N(CCO)C(C)C)([S]=C(S2)N(CCO)C(C)C)[NH]1CCNCC1
Title of publication	Bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>'](piperazine-κ<i>N</i>)cadmium: crystal structure and Hirshfeld surface analysis
Authors of publication	Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Jotani, Mukesh M.; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	158 - 163
a	15.341 ± 0.003 Å
b	16.9915 ± 0.0007 Å
c	9.0308 ± 0.0008 Å
α	90°
β	100.62 ± 0.016°
γ	90°
Cell volume	2313.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0358
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241453.cif 2241453.hkl
174437	2016-01-14	cif/ hkl/ Adding structures of 2241453 via cif-deposit CGI script.	2241453.cif 2241453.hkl