Crystallography Open Database

Information card for entry 2231715

Preview

Coordinates	2231715.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichloridobis[2-methylsulfanyl-4-(pyridin-2-yl)pyrimidine- κ^2^<i>N</i>^3^,<i>N</i>^4^)cobalt(II)
Formula	C20 H18 Cl2 Co N6 S2
Calculated formula	C20 H18 Cl2 Co N6 S2
SMILES	c1cccc2c3ccnc([n]3[Co]3([n]12)(Cl)([n]1ccccc1c1ccnc([n]31)SC)Cl)SC
Title of publication	Dichloridobis[2-methylsulfanyl-4-(pyridin-2-yl)pyrimidine-κ^2^<i>N</i>^3^,<i>N</i>^4^]cobalt(II)
Authors of publication	Yang, Wen-Na
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	9
Pages of publication	m1193
a	8.709 ± 0.011 Å
b	17.1 ± 0.02 Å
c	15.328 ± 0.019 Å
α	90°
β	102.34 ± 0.03°
γ	90°
Cell volume	2230 ± 5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.069
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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.	2231715.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2231715.cif
27854	2011-10-07	../uploads/cif-deposit/cod/cif Adding structures of 2231715 via cif-deposit CGI script.	2231715.cif