Crystallography Open Database

Information card for entry 1564630

Preview

Coordinates	1564630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H45 Cu3 N7 O8
Calculated formula	C49 H45 Cu3 N7 O8
SMILES	[Cu](OC(=O)c1ccc2[O]3[Cu]4([N](c2c1)=C(C=C(O4)C)C)([n]1ccccc1)[O]1[Cu]23(OC(=CC(=[N]2c2c1ccc(C(=O)[O-])c2)C)C)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OC(=O)c1ccc2[O]3[Cu]4(OC(=CC(=[N]4c2c1)C)C)([n]1ccccc1)[O]1[Cu]23([N](c3c1ccc(C(=O)O[Cu]([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)c3)=C(C=C(O2)C)C)[n]1ccccc1)[n]1ccccc1
Title of publication	Coordination properties of two new Schiff-base phenoxy-carboxylates and comparative study of their antioxidant activities
Authors of publication	Boussadia, Ahlem; Beghidja, Adel; Gali, Lynda; Beghidja, Chahrazed; Elhabiri, Mourad; Rabu, Pierre; Rogez, Guillaume
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	508
Pages of publication	119656
a	18.7592 ± 0.0007 Å
b	9.7333 ± 0.0004 Å
c	16.0077 ± 0.0006 Å
α	90°
β	106.724 ± 0.002°
γ	90°
Cell volume	2799.2 ± 0.19 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.25
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
269129 (current)	2021-09-14	cif/ Adding structures of 1564630, 1564631, 1564632, 1564633, 1564634 via cif-deposit CGI script.	1564630.cif