Crystallography Open Database

Information card for entry 4514178

Preview

Coordinates	4514178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26.2 Cu2 O13.6
Calculated formula	C25 H14.5 Cu2 O13.6
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	18.917 ± 0.0005 Å
b	18.917 ± 0.0005 Å
c	13.5692 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4855.8 ± 0.3 Å³
Cell temperature	99.97 ± 0.1 K
Ambient diffraction temperature	99.97 ± 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	0.1317
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.3107
Weighted residual factors for all reflections included in the refinement	0.342
Goodness-of-fit parameter for all reflections included in the refinement	1.269
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.	4514178.cif