Crystallography Open Database

Information card for entry 7024563

Preview

Coordinates	7024563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 N2 O4 S4 Zn
Calculated formula	C26 H40 N2 O4 S4 Zn
SMILES	[Zn]12(SC(=C\c3sccc3)/C(=O)O1)SC(=C\c1sccc1)/C(=O)O2.[NH2+](C(C)C)C(C)C.[NH2+](C(C)C)C(C)C
Title of publication	Chemical and in vitro study of the potential of 3-(aryl)-2-sulfanylpropenoic acids and their Zn(II) complexes as protective agents against cadmium toxicity.
Authors of publication	Casas, J. S.; Castellano, E. E.; Couce, M. D.; García-Vega, M; Sánchez, A; Sánchez-González, A; Sordo, J.; Varela, J. M.; Vázquez López, E M
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	16
Pages of publication	3931 - 3943
a	14.068 ± 0.001 Å
b	15.065 ± 0.002 Å
c	16.045 ± 0.003 Å
α	90°
β	112.822 ± 0.01°
γ	90°
Cell volume	3134.3 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0777
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179950 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/45.	7024563.cif
92560	2014-01-12	cif/ Adding structures of 7024560, 7024561, 7024562, 7024563, 7024564, 7024565, 7024566 via cif-deposit CGI script.	7024563.cif