Crystallography Open Database

Information card for entry 7223558

Preview

Coordinates	7223558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 N6 O8 S
Calculated formula	C13 H16 N6 O8 S
SMILES	c1(ccccc1N/N=C/1C(=O)NC(=O)NC1=O)S(=O)(=O)[O-].c1[nH]cc[nH+]1.O.O
Title of publication	DNA and BSA Binding, Anticancer and Antimicrobial Properties of Co(II), Co(II/III), Cu(II) and Ag(I) Complexes of Arylhydrazones of Barbituric Acid
Authors of publication	Palmucci, Jessica; Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Marchetti, Fabio; Pettinari, Claudio; Petrelli, Dezemona; Vitali, Luca A.; Quassinti, Luana; Bramucci, Massimo; Lupidi, Giulio; Pombeiro, Armando J. L.
Journal of publication	RSC Adv.
Year of publication	2015
a	7.1448 ± 0.0018 Å
b	11.28 ± 0.004 Å
c	12.049 ± 0.004 Å
α	116.777 ± 0.012°
β	98.803 ± 0.011°
γ	97.186 ± 0.011°
Cell volume	835.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0939
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
171625 (current)	2015-12-19	cif/ Adding structures of 7223556, 7223557, 7223558 via cif-deposit CGI script.	7223558.cif