Crystallography Open Database

Information card for entry 1569473

Preview

Coordinates	1569473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cl2 Cu N2 O
Calculated formula	C16 H10 Cl2 Cu N2 O
SMILES	[Cu]12(Cl)Oc3cc(Cl)ccc3[N]1=Cc1[n]2c2c(cc1)cccc2
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	14.3656 ± 0.001 Å
b	14.9057 ± 0.0008 Å
c	6.8654 ± 0.0004 Å
α	90°
β	90.238 ± 0.006°
γ	90°
Cell volume	1470.07 ± 0.16 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0715
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
285037 (current)	2023-07-06	cif/ Adding structures of 1569473 via cif-deposit CGI script.	1569473.cif