Crystallography Open Database

Information card for entry 2242845

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Coordinates	2242845.cif
Structure factors	2242845.hkl
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(6,6'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')nickel(II), [Ni(C~18~H~12~F~6~N~2~O~4~)]
Formula	C18 H12 F6 N2 Ni O4
Calculated formula	C18 H12 F6 N2 Ni O4
SMILES	[Ni]123Oc4c(OC(F)(F)F)cccc4C=[N]2CC[N]3=Cc2c(c(OC(F)(F)F)ccc2)O1
Title of publication	Crystal structure and Hirshfeld surfaces analysis of the nickel(II) complex of the Shiff base ligand 6,6'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]
Authors of publication	Demir Kanmazalp, Sibel; Meral, Seher; Dege, Necmi; Alaman Agar, Aysen; Fritsky, Igor O.
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	3
Pages of publication	328 - 331
a	7.0709 ± 0.0004 Å
b	19.8158 ± 0.0013 Å
c	13.1957 ± 0.0007 Å
α	90°
β	99.089 ± 0.004°
γ	90°
Cell volume	1825.71 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0964
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	0.815
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
213579 (current)	2019-02-09	cif/ hkl/ Adding structures of 2242845 via cif-deposit CGI script.	2242845.cif 2242845.hkl