Crystallography Open Database

Information card for entry 1570924

Preview

Coordinates	1570924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Cl2 N3 Pd S
Calculated formula	C7 H9 Cl2 N3 Pd S
SMILES	[Pd]1(Cl)(Cl)[N]2=C(n3ccc[n]13)SCCC2
Title of publication	Cytotoxic Effects of New Palladium(II) Complexes with Thiazine or Thiazoline Derivative Ligands in Tumor Cell Lines
Authors of publication	Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Luna-Giles, Francisco Vinuelas-Zahinos, Emilio Espino, Javier Pariente, Jose A.
Journal of publication	Pharmaceutics
Year of publication	2023
Journal volume	15
Pages of publication	696
a	8.9806 ± 0.0005 Å
b	7.3615 ± 0.0004 Å
c	16.2772 ± 0.001 Å
α	90°
β	101.738 ± 0.002°
γ	90°
Cell volume	1053.59 ± 0.1 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0173
Residual factor for significantly intense reflections	0.0161
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
289703 (current)	2024-02-05	cif/ Adding structures of 1570924 via cif-deposit CGI script.	1570924.cif