Crystallography Open Database

Information card for entry 4515901

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Coordinates	4515901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cl4 Cu2 N6 O11 Zn
Calculated formula	C38 H36 Cl4 Cu2 N6 O11 Zn
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	10.0431 ± 0.0009 Å
b	19.9558 ± 0.0019 Å
c	11.4121 ± 0.0011 Å
α	90°
β	111.678 ± 0.003°
γ	90°
Cell volume	2125.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225981 (current)	2019-11-10	cif/ Adding structures of 4515901 via cif-deposit CGI script.	4515901.cif