Crystallography Open Database

Information card for entry 7215873

Preview

Coordinates	7215873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cd N4 S6
Calculated formula	C24 H22 Cd N4 S6
Title of publication	Influence of ligand environments on the structures and luminescence properties of homoleptic cadmium(ii) pyridyl functionalized dithiocarbamates
Authors of publication	Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Manar, Krishna K.; Drew, Michael. G. B.; Singh, Nanhai
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	29
Pages of publication	6765
a	11.4651 ± 0.0009 Å
b	12.8858 ± 0.001 Å
c	18.191 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2687.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
180489 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58.	7215873.cif
119412	2014-07-07	cif/ Updating files of 7215870, 7215871, 7215872, 7215873, 7215874, 7215875 Original log message: Adding full bibliography for 7215870--7215875.cif.	7215873.cif
113622	2014-05-13	cif/ Adding structures of 7215870, 7215871, 7215872, 7215873, 7215874, 7215875 via cif-deposit CGI script.	7215873.cif