Crystallography Open Database

Information card for entry 1512838

Preview

Coordinates	1512838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cl N2 O Pt S
Calculated formula	C20 H19 Cl N2 O Pt S
SMILES	[Pt]12(Oc3c(N=[N]2c2c([S]1CCCC)cccc2)ccc1c3cccc1)Cl
Title of publication	Synthesis, characterization, X-ray structure and spectroscopic study of platinum(II) complexes with tridentate diazene ligands having O,N,S donor set
Authors of publication	Suvra Acharya; Ambica Kejriwal; Achintesh Narayan Biswas; Purak Das; Debatra Narayan Neogi; Pinaki Bandyopadhyay
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	757 - 764
a	11.478 ± 0.004 Å
b	8.913 ± 0.003 Å
c	18.736 ± 0.006 Å
α	90°
β	100.916 ± 0.004°
γ	90°
Cell volume	1882.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0341
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512838.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512838.cif
90985	2013-11-22	cif/ Adding structures of 1512838 via cif-deposit CGI script.	1512838.cif