Crystallography Open Database

Information card for entry 4504559

Preview

Coordinates	4504559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 Cl3 Co N4
Calculated formula	C10 H13 Cl3 Co N4
SMILES	[Co](Cl)(Cl)(Cl)[n]1c(N)cccc1.Nc1[nH+]cccc1
Title of publication	Polymorphism in an Ionic Pair 2-Aminopyridyl-CoIIComplex: Role of N−H···Cl Hydrogen Bonds and π···π Interactions in Tuning the Columnar Packing
Authors of publication	Zhang, Guoqi; Yang, Guoqiang; Wu, Nianzu; Ma, Jin Shi
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	229
a	13.216 ± 0.0009 Å
b	8.1166 ± 0.0008 Å
c	14.0262 ± 0.0009 Å
α	90°
β	106.236 ± 0.004°
γ	90°
Cell volume	1444.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179580 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45.	4504559.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504559.cif
47415	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504559, 4504560 via cif-deposit CGI script.	4504559.cif