Crystallography Open Database

Information card for entry 7040279

Preview

Coordinates	7040279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 Cl O3 Pt S3
Calculated formula	C12 H15 Cl O3 Pt S3
SMILES	[Pt]1(OC(=CC(=[S]1)SC)c1cccc(O)c1)(Cl)[S](=O)(C)C
Title of publication	Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Authors of publication	Hildebrandt, Jana; Häfner, Norman; Görls, Helmar; Kritsch, Daniel; Ferraro, Giarita; Dürst, Matthias; Runnebaum, Ingo B.; Merlino, Antonello; Weigand, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	47
Pages of publication	18876 - 18891
a	12.8077 ± 0.0004 Å
b	16.5312 ± 0.0005 Å
c	7.3048 ± 0.0002 Å
α	90°
β	92.12 ± 0.002°
γ	90°
Cell volume	1545.56 ± 0.08 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
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	0.0405
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
190201 (current)	2017-01-09	cif/ Updating files of 7040272, 7040273, 7040274, 7040275, 7040276, 7040277, 7040278, 7040279, 7040280, 7040281 Original log message: Adding full bibliography for 7040272--7040281.cif.	7040279.cif
185760	2016-08-12	cif/ Adding structures of 7040272, 7040273, 7040274, 7040275, 7040276, 7040277, 7040278, 7040279, 7040280, 7040281 via cif-deposit CGI script.	7040279.cif