Crystallography Open Database

Information card for entry 7221541

Preview

Coordinates	7221541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 Cl8 Co N3
Calculated formula	C24 H33 Cl8 Co N3
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].[Cl-].C[C@@H]([NH3+])c1ccc(Cl)cc1.C[C@@H]([NH3+])c1ccc(Cl)cc1.C[C@@H]([NH3+])c1ccc(Cl)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	13.7886 ± 0.0002 Å
b	7.5549 ± 0.0001 Å
c	15.5888 ± 0.0002 Å
α	90°
β	94.963 ± 0.001°
γ	90°
Cell volume	1617.82 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	7221541.cif
152031	2015-07-14	cif/ Adding structures of 7221541, 7221542, 7221543, 7221544 via cif-deposit CGI script.	7221541.cif