Crystallography Open Database

Information card for entry 7218683

Preview

Coordinates	7218683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Br2 Cu N2 O2
Calculated formula	C18 H18 Br2 Cu N2 O2
SMILES	c12O[Cu]3([N](=Cc2cccc1)CCBr)[N](=Cc1c(cccc1)O3)CCBr
Title of publication	Zinc, copper and nickel derivatives of 2-[2-bromoethyliminomethyl]phenol as topoisomerase inhibitors exhibiting anti-proliferative and anti-metastatic properties
Authors of publication	Lee, Sze Koon; Tan, Kong Wai; Weng, Ng Seik
Journal of publication	RSC Adv.
Year of publication	2014
a	10.2397 ± 0.0008 Å
b	10.0932 ± 0.0006 Å
c	8.7855 ± 0.0006 Å
α	90°
β	102.225 ± 0.007°
γ	90°
Cell volume	887.4 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0351
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
180517 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86.	7218683.cif
126308	2014-11-06	cif/ Adding structures of 7218683, 7218684 via cif-deposit CGI script.	7218683.cif