Crystallography Open Database

Information card for entry 4334806

Preview

Coordinates	4334806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Cl2 N2 Pt S2
Calculated formula	C10 H22 Cl2 N2 Pt S2
SMILES	[Pt](Cl)(Cl)([NH]=C(SCC)CC)[NH]=C(SCC)CC
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	12.989 ± 0.003 Å
b	14.486 ± 0.003 Å
c	18.594 ± 0.003 Å
α	90°
β	94.17 ± 0.03°
γ	90°
Cell volume	3489.4 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.353
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.	4334806.cif
100690	2014-02-07	cif/ Adding structures of 4334806 via cif-deposit CGI script.	4334806.cif