Crystallography Open Database

Information card for entry 4349736

Preview

Coordinates	4349736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 Cl3 N2 O4 Pt S
Calculated formula	C12 H13 Cl3 N2 O4 Pt S
SMILES	[Pt]1([S](=O)(C)C)(Cl)Oc2ccc(c3ccc[n]1c23)N(=O)=O.ClCCl
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	19.3571 ± 0.0007 Å
b	6.8349 ± 0.0003 Å
c	25.199 ± 0.001 Å
α	90°
β	95.245 ± 0.004°
γ	90°
Cell volume	3320 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
235778 (current)	2019-11-24	cif/ Adding structures of 4349734, 4349735, 4349736, 4349737, 4349738 via cif-deposit CGI script.	4349736.cif