Crystallography Open Database

Information card for entry 7218859

Preview

Coordinates	7218859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N4 O6 Zn
Calculated formula	C18 H14 N4 O6 Zn
SMILES	[Zn]12([n]3cccc4c(ccc(c34)O2)N=O)([n]2cccc3c(ccc(c23)O1)N=O)([OH2])[OH2]
Title of publication	Selective interactions of 5-(hydroxyimino)quinolin-8-one with tetrabutylammonium fluoride and zinc(II) ions
Authors of publication	Baruah, Jubaraj Bikash; Khakhlary, Prithiviraj
Journal of publication	RSC Adv.
Year of publication	2014
a	7.2755 ± 0.0009 Å
b	7.9392 ± 0.0009 Å
c	8.4103 ± 0.0009 Å
α	64.84 ± 0.011°
β	74.394 ± 0.01°
γ	87.012 ± 0.01°
Cell volume	422.41 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218859.cif
127601	2014-11-21	cif/ Adding structures of 7218858, 7218859 via cif-deposit CGI script.	7218859.cif