Crystallography Open Database

Information card for entry 7222279

Preview

Coordinates	7222279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cu N4 O8
Calculated formula	C22 H30 Cu N4 O8
SMILES	C1=[N](O)[Cu]2(Oc3c1ccc(c3)O)[N](=Cc1ccc(cc1O2)O)O.O=C(C)N(C)C.C(=O)(C)N(C)C
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	9.3108 ± 0.0003 Å
b	7.1558 ± 0.0002 Å
c	19.0122 ± 0.0006 Å
α	90°
β	94.749 ± 0.002°
γ	90°
Cell volume	1262.36 ± 0.07 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	7222279.cif
158249	2015-09-23	cif/ Adding structures of 7222273, 7222274, 7222275, 7222276, 7222277, 7222278, 7222279 via cif-deposit CGI script.	7222279.cif