Crystallography Open Database

Information card for entry 7222276

Preview

Coordinates	7222276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2 Ni O6
Calculated formula	C14 H12 N2 Ni O6
SMILES	O[N]1=Cc2ccc(O)cc2O[Ni]21Oc1c(C=[N]2O)ccc(O)c1
Title of publication	Study on divalent copper, nickel and zinc model complexes for fluoride ions detection
Authors of publication	Baruah, Jubaraj Bikash; Tarai, Arup
Journal of publication	RSC Adv.
Year of publication	2015
a	6.8784 ± 0.0008 Å
b	7.0931 ± 0.0008 Å
c	27.221 ± 0.003 Å
α	90°
β	90.61 ± 0.003°
γ	90°
Cell volume	1328 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1902
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	7222276.cif
158249	2015-09-23	cif/ Adding structures of 7222273, 7222274, 7222275, 7222276, 7222277, 7222278, 7222279 via cif-deposit CGI script.	7222276.cif