Crystallography Open Database

Information card for entry 1566108

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Coordinates	1566108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N4 O8 Zn
Calculated formula	C22 H14 N4 O8 Zn
SMILES	[Zn]1234([n]5ccccc5c5cccc([n]15)c1[n]2cccc1)OC(=O)c1cccc([n]31)C(=O)O4.O.O.O.O
Title of publication	Synthesis, crystal structure, and density functional theory study of a zinc(II) complex containing terpyridine and pyridine-2,6-dicarboxylic acid ligands: Analysis of the interactions with amoxicillin
Authors of publication	Tella, Adedibu C.; Obaleye, Joshua A.; Olawale, Margaret D.; Vianney Ngororabanga, Jean Marie; Ogunlaja, Adeniyi S.; Bourne, Susan A.
Journal of publication	Comptes Rendus Chimie
Year of publication	2019
Journal volume	22
Journal issue	1
Pages of publication	3 - 12
a	8.431 ± 0.003 Å
b	12.696 ± 0.004 Å
c	21.701 ± 0.007 Å
α	85.465 ± 0.007°
β	84.808 ± 0.006°
γ	82.95 ± 0.007°
Cell volume	2290.4 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1011
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
272209 (current)	2022-01-24	cif/ Adding structures of 1566108 via cif-deposit CGI script.	1566108.cif