Crystallography Open Database

Information card for entry 1564650

Preview

Coordinates	1564650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cu N4 O2 S2
Calculated formula	C16 H18 Cu N4 O2 S2
SMILES	C1(=N[N]([Cu]2(O1)[N](=C(C)C)N=C(c1cccs1)O2)=C(C)C)c1cccs1
Title of publication	Monomeric and dimeric copper (II) complexes based on bidentate Nʹ-(propan-2-ylidene) thiophene carbohydrazide Schiff base ligand: Synthesis, structure, magnetic properties, antioxidant and anti-Alzheimer activities
Authors of publication	Boulguemh, Imed-Eddine; Beghidja, Adel; Khattabi, Latifa; Long, Jérôme; Beghidja, Chahrazed
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	507
Pages of publication	119519
a	7.1221 ± 0.001 Å
b	11.9489 ± 0.0016 Å
c	10.8718 ± 0.0015 Å
α	90°
β	101.612 ± 0.003°
γ	90°
Cell volume	906.3 ± 0.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.0884
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
269152 (current)	2021-09-15	cif/ Adding structures of 1564650, 1564651 via cif-deposit CGI script.	1564650.cif