Crystallography Open Database

Information card for entry 2238937

Preview

Coordinates	2238937.cif
Original IUCr paper	HTML

Structure parameters

Common name	bis 1,3-phenylendiamine dithiocyanato-cadmiate(II)
Chemical name	Poly[bis(μ~2~-1,3-phenylenediamine-κ^2^<i>N</i>:<i>N</i>')di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium]
Formula	C8 H8 Cd N4 S2
Calculated formula	C8 H8 Cd N4 S2
Title of publication	Poly[bis(μ~2~-1,3-phenylenediamine-κ^2^<i>N</i>:<i>N</i>')di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium]
Authors of publication	Chemli, Rakia; Kamoun, Slaheddine; Roisnel, Thierry
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m670 - m671
a	10.8704 ± 0.0006 Å
b	12.8983 ± 0.001 Å
c	8.3362 ± 0.0005 Å
α	90°
β	106.503 ± 0.003°
γ	90°
Cell volume	1120.67 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238937.cif
92373	2014-01-12	cif/ Adding structures of 2238937 via cif-deposit CGI script.	2238937.cif