Crystallography Open Database

Information card for entry 1516982

Preview

Coordinates	1516982.cif

Structure parameters

Formula	C26 H26 Cd N4 S4
Calculated formula	C26 H26 Cd N4 S4
SMILES	[Cd]12([S]=C(S1)N(c1ccccc1)C)([S]=C(S2)N(c1ccccc1)C)([n]1ccccc1)[n]1ccccc1
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	16.6557 ± 0.0003 Å
b	17.6455 ± 0.0003 Å
c	9.2332 ± 0.0002 Å
α	90°
β	91.473 ± 0.001°
γ	90°
Cell volume	2712.72 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	1516982.cif
119850	2014-07-09	cif/ Adding structures of 1516982 via cif-deposit CGI script.	1516982.cif