Crystallography Open Database

Information card for entry 7024564

Preview

Coordinates	7024564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 N2 O6 S2 Zn
Calculated formula	C26 H40 N2 O6 S2 Zn
SMILES	[Zn]12(S/C(C(=O)O1)=C\c1occc1)S/C(=C\c1occc1)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	9.0837 ± 0.0011 Å
b	12.8696 ± 0.0015 Å
c	14.8088 ± 0.0017 Å
α	69.626 ± 0.002°
β	75.541 ± 0.002°
γ	81.68 ± 0.002°
Cell volume	1568.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	0.866
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7024564.cif
92560	2014-01-12	cif/ Adding structures of 7024560, 7024561, 7024562, 7024563, 7024564, 7024565, 7024566 via cif-deposit CGI script.	7024564.cif