Crystallography Open Database

Information card for entry 4515903

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Coordinates	4515903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 Cl2 Cu N2 O2
Calculated formula	C19 H18 Cl2 Cu N2 O2
SMILES	[Cu]123[N](=Cc4c(ccc(Cl)c4)O2)CC(C[N]1=Cc1cc(Cl)ccc1O3)(C)C
Title of publication	Bioactive Heterometallic Cu<sup>II</sup>-Zn<sup>II</sup> Complexes with Potential Biomedical Applications.
Authors of publication	Majumder, Ishani; Chakraborty, Prateeti; Álvarez, Raquel; Gonzalez-Diaz, Myriam; Peláez, Rafael; Ellahioui, Younes; Bauza, Antonio; Frontera, Antonio; Zangrando, Ennio; Gómez-Ruiz, Santiago; Das, Debasis
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	10
Pages of publication	13343 - 13353
a	6.9256 ± 0.0003 Å
b	23.3181 ± 0.001 Å
c	11.7998 ± 0.0005 Å
α	90°
β	103.829 ± 0.002°
γ	90°
Cell volume	1850.34 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0603
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
225983 (current)	2019-11-10	cif/ Adding structures of 4515903 via cif-deposit CGI script.	4515903.cif