Crystallography Open Database

Information card for entry 4347583

Preview

Coordinates	4347583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Cl4 N4 O2 Pt2 S4
Calculated formula	C27 H36 Cl4 N4 O2 Pt2 S4
SMILES	[Pt](Cl)(Cl)([n]1ccn(c1c1sc(c(c1)C1=C(CCC1)c1cc(sc1C)c1[n](ccn1C)[Pt](Cl)(Cl)[S](=O)(C)C)C)C)[S](=O)(C)C
Title of publication	Non-Switching 1,2-Dithienylethene-based Diplatinum(II) Complex Showing High Cytotoxicity.
Authors of publication	Presa, Andreu; Barrios, Leoní; Cirera, Jordi; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Teat, Simon J.; Gamez, Patrick
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	11
Pages of publication	5356 - 5364
a	13.339 ± 0.0017 Å
b	16.241 ± 0.003 Å
c	17.767 ± 0.003 Å
α	109.263 ± 0.01°
β	90.811 ± 0.01°
γ	101.45 ± 0.01°
Cell volume	3548 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1513
Residual factor for significantly intense reflections	0.1163
Weighted residual factors for significantly intense reflections	0.3008
Weighted residual factors for all reflections included in the refinement	0.3369
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232388 (current)	2019-11-23	cif/ Adding structures of 4347583 via cif-deposit CGI script.	4347583.cif