Crystallography Open Database

Information card for entry 4039018

Preview

Coordinates	4039018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Cl2 N3 Pt S
Calculated formula	C7 H9 Cl2 N3 Pt S
SMILES	C12=[N](CCCS2)[Pt]([n]2cccn12)(Cl)Cl
Title of publication	Influence of ligand lipophilicity in Pt(II) complexes on their antiproliferative and apoptotic activities in tumour cell lines
Authors of publication	Elena Fern'andez-Delgado; Samuel Estirado; Javier Espino; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Ana B. Rodríguez Moratinos; Jos'e A. Pariente
Journal of publication	Journal of Inorganic Biochemistry
Year of publication	2022
Journal volume	227
Pages of publication	111688
a	9.042 ± 0.002 Å
b	7.4539 ± 0.0019 Å
c	16.156 ± 0.004 Å
α	90°
β	101.815 ± 0.003°
γ	90°
Cell volume	1065.8 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0214
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0451
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
280918 (current)	2023-02-15	cif/ Adding structures of 4039018 via cif-deposit CGI script.	4039018.cif