Crystallography Open Database

Information card for entry 1569475

Preview

Coordinates	1569475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Cl2 Mn N2 O4
Calculated formula	C17 H18 Cl2 Mn N2 O4
SMILES	[Mn]12(Cl)(Oc3c([N]1=Cc1[n]2c2c(cc1)cccc2)ccc(Cl)c3)([OH2])[OH2].OC
Title of publication	Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.
Authors of publication	Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	12
Pages of publication	4876
a	7.08 ± 0.004 Å
b	11.346 ± 0.006 Å
c	13.326 ± 0.007 Å
α	107.037 ± 0.008°
β	100.842 ± 0.009°
γ	105.105 ± 0.009°
Cell volume	946.7 ± 0.9 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
285039 (current)	2023-07-06	cif/ Adding structures of 1569475 via cif-deposit CGI script.	1569475.cif