Crystallography Open Database

Information card for entry 7224145

Preview

Coordinates	7224145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Br4 Cl2 Cu N4 O4
Calculated formula	C22 H28 Br4 Cl2 Cu N4 O4
SMILES	c12c(c(cc(c1)Cl)Br)O[Cu]1([N](=C2)CC[NH2+]CCO)[N](=Cc2c(c(cc(c2)Cl)Br)O1)CC[NH2+]CCO.[Br-].[Br-]
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	7.7486 ± 0.0008 Å
b	23.271 ± 0.003 Å
c	8.115 ± 0.001 Å
α	90°
β	94.353 ± 0.011°
γ	90°
Cell volume	1459.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.1221
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.2155
Weighted residual factors for all reflections included in the refinement	0.2417
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7224145.cif