Crystallography Open Database

Information card for entry 7215875

Preview

Coordinates	7215875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H84 Cd3 N6 O6 S12
Calculated formula	C84 H84 Cd3 N6 O6 S12
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	12.2619 ± 0.001 Å
b	14.0531 ± 0.0016 Å
c	14.1351 ± 0.0012 Å
α	111.871 ± 0.009°
β	101.167 ± 0.007°
γ	97.391 ± 0.008°
Cell volume	2163 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1869
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7215875.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.	7215875.cif
113622	2014-05-13	cif/ Adding structures of 7215870, 7215871, 7215872, 7215873, 7215874, 7215875 via cif-deposit CGI script.	7215875.cif