Crystallography Open Database

Information card for entry 7221543

Preview

Coordinates	7221543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 Cl5 Co N3
Calculated formula	C24 H36 Cl5 Co N3
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].[Cl-].[NH3+][C@H](C)c1ccccc1.[NH3+][C@H](C)c1ccccc1.[NH3+][C@H](C)c1ccccc1
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	13.9448 ± 0.0002 Å
b	7.5033 ± 0.0001 Å
c	14.4057 ± 0.0002 Å
α	90°
β	98.471 ± 0.001°
γ	90°
Cell volume	1490.85 ± 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	0.0495
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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.	7221543.cif
152031	2015-07-14	cif/ Adding structures of 7221541, 7221542, 7221543, 7221544 via cif-deposit CGI script.	7221543.cif