Crystallography Open Database

Information card for entry 1570921

Preview

Coordinates	1570921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 Cl2 N3 Pt S
Calculated formula	C9 H13 Cl2 N3 Pt S
SMILES	[Pt]1(Cl)(Cl)[N]2=C(n3c(cc(C)[n]13)C)SCCC2
Title of publication	Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines
Authors of publication	Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.
Journal of publication	Polyhedron
Year of publication	2024
Journal volume	248
Pages of publication	116756
a	7.4526 ± 0.0003 Å
b	17.5917 ± 0.0007 Å
c	18.3383 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2404.22 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
289700 (current)	2024-02-05	cif/ Adding structures of 1570921 via cif-deposit CGI script.	1570921.cif