Crystallography Open Database

Information card for entry 1546260

Preview

Coordinates	1546260.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Cl2 N2 O4 Pt
Calculated formula	C12 H20 Cl2 N2 O4 Pt
SMILES	[Pt](Cl)(Cl)(OC(=O)CC)(OC(=O)CC)([n]1c(cccc1)C)[NH3]
Title of publication	Eugenia uniflora leaf essential oil promotes mitochondrial dysfunction in Drosophila melanogaster through the inhibition of oxidative phosphorylation
Authors of publication	de Carvalho, Nélson R.; Rodrigues, Nathane R.; Macedo, Giulianna E.; Bristot, Ivi J.; Boligon, Aline A.; de Campos, Marli M.; Cunha, Francisco A. B.; Coutinho, Henrique D.; Klamt, Fabio; Merritt, Thomas J. S.; Posser, Thaís; Franco, Jeferson L.
Journal of publication	Toxicol. Res.
Year of publication	2017
a	11.576 ± 0.005 Å
b	7.98 ± 0.003 Å
c	21.461 ± 0.005 Å
α	90°
β	119.29 ± 0.02°
γ	90°
Cell volume	1729 ± 1.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0325
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197561 (current)	2017-06-06	cif/ Adding structures of 1546260 via cif-deposit CGI script.	1546260.cif