Crystallography Open Database

Information card for entry 7048001

Preview

Coordinates	7048001.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis-(5-chloro-7{[(2-fluorobenzyl)amino]methyl}quinolin-8-ol)-aqua-copper(II) zinctetrachlorid methanol solvate
Formula	C36 H36 Cl6 Cu F2 N4 O4 Zn
Calculated formula	C36 H36 Cl6 Cu F2 N4 O4 Zn
Title of publication	Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.
Authors of publication	Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	47
Pages of publication	17032 - 17045
a	11.8498 ± 0.0012 Å
b	12.9144 ± 0.0011 Å
c	14.7891 ± 0.0017 Å
α	76.7 ± 0.003°
β	72.214 ± 0.003°
γ	67.89 ± 0.003°
Cell volume	1979.5 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.137
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
229689 (current)	2019-11-17	cif/ Updating files of 7047997, 7047998, 7047999, 7048000, 7048001 Original log message: Adding full bibliography for 7047997--7048001.cif.	7048001.cif
211838	2018-11-08	cif/ Adding structures of 7047997, 7047998, 7047999, 7048000, 7048001 via cif-deposit CGI script.	7048001.cif