Crystallography Open Database

Information card for entry 1516981

Preview

Coordinates	1516981.cif

Structure parameters

Formula	C22 H23 Cd N3 S4
Calculated formula	C22 H23 Cd N3 S4
Title of publication	Effect of methyl substituent in pyridine on the spectral and thermal properties of pyridyl adducts of Zn(II) and Cd(II) dithiocarbamate
Authors of publication	Damian C. Onwudiwe; Christien A. Strydom; Eric C. Hosten
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	401
Pages of publication	1 - 10
a	16.9468 ± 0.0005 Å
b	8.9864 ± 0.0003 Å
c	8.1711 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1244.38 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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.	1516981.cif
119849	2014-07-09	cif/ Adding structures of 1516981 via cif-deposit CGI script.	1516981.cif