Crystallography Open Database

Information card for entry 1560193

Preview

Coordinates	1560193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H41 N3 O6 Zn
Calculated formula	C44 H41 N3 O6 Zn
SMILES	c1(ccc2ccc3ccc(C)[n]4c3c2[n]1[Zn]4(OC(=O)[C@H](c1ccc2cc(ccc2c1)OC)C)OC(=O)[C@H](c1ccc2cc(ccc2c1)OC)C)C.C(#N)C
Title of publication	Synthesis, characterization and biological activity of new mixed ligand complexes of Zn(II) naproxen with nitrogen based ligands
Authors of publication	Hijazi Abu Ali; Hadeel Fares; Mohanad Darawsheh; Emilia Rappocciolo; Mutaz Akkawi; Suhair Jaber
Journal of publication	European Journal of Medicinal Chemistry
Year of publication	2015
Journal volume	89
Pages of publication	67 - 76
a	15.0063 ± 0.0009 Å
b	14.1711 ± 0.0008 Å
c	17.7959 ± 0.0011 Å
α	90°
β	91.705 ± 0.001°
γ	90°
Cell volume	3782.7 ± 0.4 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
261185 (current)	2021-01-25	cif/ Adding structures of 1560193 via cif-deposit CGI script.	1560193.cif