Crystallography Open Database

Information card for entry 4514176

Preview

Coordinates	4514176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 Cu2 O10
Calculated formula	C25 H15 Cu2 O10
Title of publication	A Copper(II)-Paddlewheel Metal-Organic Framework with Exceptional Hydrolytic Stability and Selective Adsorption and Detection Ability of Aniline in Water.
Authors of publication	Chen, Ya; Wang, Bin; Wang, Xiaoqing; Xie, Lin-Hua; Li, Jinping; Xie, Yabo; Li, Jian-Rong
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	32
Pages of publication	27027 - 27035
a	18.8441 ± 0.0005 Å
b	18.8441 ± 0.0005 Å
c	13.4252 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4767.3 ± 0.3 Å³
Cell temperature	290.91 ± 0.1 K
Ambient diffraction temperature	290.91 ± 0.1 K
Number of distinct elements	4
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0977
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2399
Weighted residual factors for all reflections included in the refinement	0.2681
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
200217 (current)	2017-09-06	cif/ Adding structures of 4514175, 4514176, 4514177, 4514178, 4514179 via cif-deposit CGI script.	4514176.cif