Crystallography Open Database

Information card for entry 4334807

Preview

Coordinates	4334807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cl2 N2 Pt S2
Calculated formula	C20 H26 Cl2 N2 Pt S2
SMILES	[Pt](Cl)(Cl)([NH]=C(SCC)Cc1ccccc1)[NH]=C(SCC)Cc1ccccc1
Title of publication	Novel Imino Thioether Complexes of Platinum(II): Synthesis, Structural Investigation, and Biological Activity
Authors of publication	Paolo Sgarbossa; Silvia Mazzega Sbovata; Roberta Bertani; Mirto Mozzon; Franco Benetollo; Cristina Marzano; Valentina Gandin; Rino A. Michelin
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5729 - 5741
a	13.275 ± 0.003 Å
b	13.337 ± 0.003 Å
c	14.836 ± 0.003 Å
α	104.16 ± 0.03°
β	94.14 ± 0.02°
γ	109.02 ± 0.03°
Cell volume	2374.5 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.33
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
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334807.cif
100691	2014-02-07	cif/ Adding structures of 4334807 via cif-deposit CGI script.	4334807.cif