Crystallography Open Database

Information card for entry 7224144

Preview

Coordinates	7224144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 Cu2 N4 O4
Calculated formula	C40 H44 Cu2 N4 O4
SMILES	[Cu]123[N](=Cc4c(O2)ccc(c4)C)CCCC[N]2[Cu]4([N](CCCC[N]1=Cc1c(O3)ccc(c1)C)=Cc1c(O4)ccc(c1)C)Oc1c(C=2)cc(cc1)C
Title of publication	Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes
Authors of publication	You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang
Journal of publication	RSC Adv.
Year of publication	2016
a	24.219 ± 0.003 Å
b	10.2396 ± 0.0013 Å
c	15.6794 ± 0.0019 Å
α	90°
β	107.36 ± 0.002°
γ	90°
Cell volume	3711.3 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0655
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176225 (current)	2016-02-05	cif/ Adding structures of 7224139, 7224140, 7224141, 7224142, 7224143, 7224144, 7224145, 7224146, 7224147 via cif-deposit CGI script.	7224144.cif