Crystallography Open Database

Information card for entry 7221544

Preview

Coordinates	7221544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl4 Co F2 N2
Calculated formula	C16 H22 Cl4 Co F2 N2
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].[NH3+]C(C)c1ccc(F)cc1.[NH3+]C(C)c1ccc(F)cc1
Title of publication	Racemic and Conglomerate 1-(4-Haloaryl)ethylammonium Tetrachlorocobaltate Salts: Formation of Helical Structures
Authors of publication	Ghalsasi, Prasanna Shridhar; Mande, Hemant; Arulsamy, Navamoney
Journal of publication	RSC Adv.
Year of publication	2015
a	7.1784 ± 0.0001 Å
b	10.5916 ± 0.0001 Å
c	14.2341 ± 0.0001 Å
α	90.529 ± 0.001°
β	92.765 ± 0.001°
γ	98.009 ± 0.001°
Cell volume	1070.29 ± 0.02 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.062
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7221544.cif
152031	2015-07-14	cif/ Adding structures of 7221541, 7221542, 7221543, 7221544 via cif-deposit CGI script.	7221544.cif