Crystallography Open Database

Information card for entry 7216056

Preview

Coordinates	7216056.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,2'-bi-1,6-naphthyridin-1,6,6'-ium-tetrachlorocobaltate(II) -chloride
Formula	C16 H13 Cl5 Co N4
Calculated formula	C16 H13 Cl5 Co N4
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].[Cl-].n1c(c2[nH+]c3c(cc2)c[nH+]cc3)ccc2c[nH+]ccc12
Title of publication	Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions
Authors of publication	Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	106
Pages of publication	633
a	6.2231 ± 0.0005 Å
b	10.3057 ± 0.0008 Å
c	15.4812 ± 0.0011 Å
α	75.295 ± 0.001°
β	79.299 ± 0.001°
γ	74.715 ± 0.001°
Cell volume	918.84 ± 0.12 Å³
Cell temperature	205 ± 2 K
Ambient diffraction temperature	205 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
180491 (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 7/21/60.	7216056.cif
114326	2014-05-23	cif/ Adding structures of 7216056, 7216057, 7216058, 7216059, 7216060 via cif-deposit CGI script.	7216056.cif