Crystallography Open Database

Information card for entry 4349737

Preview

Coordinates	4349737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 Cl3 N O2.33333 Pt S
Calculated formula	C13 H14 Cl3 N O2.33333 Pt S
SMILES	[Pt]1([S](=O)(C)C)(Cl)Oc2c(Cl)cc(Cl)c3ccc([n]1c23)C.O=C(C)C
Title of publication	A new class of platinum(ii) complexes with the phosphine ligand pta which show potent anticancer activity
Authors of publication	Živković, M. D.; Kljun, J.; Ilic-Tomic, T.; Pavic, A.; Veselinović, A.; Manojlović, D. D.; Nikodinovic-Runic, J.; Turel, I.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	1
Pages of publication	39
a	23.9829 ± 0.0005 Å
b	10.1789 ± 0.0003 Å
c	20.8153 ± 0.0005 Å
α	90°
β	103.822 ± 0.002°
γ	90°
Cell volume	4934.3 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0358
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0423
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
253206 (current)	2020-06-17	cif/4 Fixing a few Z/formula values and introduction of issue tags for a probably wrong structure.	4349737.cif
235778	2019-11-24	cif/ Adding structures of 4349734, 4349735, 4349736, 4349737, 4349738 via cif-deposit CGI script.	4349737.cif