Crystallography Open Database

Information card for entry 7220115

7220114 << 7220115 >> 7220116

Preview

Coordinates	7220115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H20 Cl Cu N O4
Calculated formula	C13 H20 Cl Cu N O4
SMILES	[Cu]12(Oc3c(C=[N]1C(C[OH]2)(CO)CC)cccc3)Cl.OC
Title of publication	DNA/protein interaction, cytotoxic activity and magnetic properties of amino-alcohol Schiff base derived Cu(II)/Ni(II) metal complexes: Influence of the nuclearity and metal ions
Authors of publication	Niu, Meiju; Li, Zhen; Li, Huanhuan; Li, Xiao; Dou, Jianmin; Wang, Suna
Journal of publication	RSC Adv.
Year of publication	2015
a	7.48 ± 0.009 Å
b	15.997 ± 0.018 Å
c	12.467 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	1492 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1095
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220115.cif
135725	2015-05-08	cif/ Adding structures of 7220115, 7220116, 7220117, 7220118 via cif-deposit CGI script.	7220115.cif