Crystallography Open Database

Information card for entry 4344843

Preview

Coordinates	4344843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.94 H24 B3 Cl Cu4 F12 N12 O13.87
Calculated formula	C36.9338 H24 B3 Cl Cu4 F12 N12 O13.868
Title of publication	Microporous Metal-Organic Framework Stabilized by Balanced Multiple Host-Couteranion Hydrogen-Bonding Interactions for High-Density CO2 Capture at Ambient Conditions.
Authors of publication	Ye, Yingxiang; Xiong, Shunshun; Wu, Xiaonan; Zhang, Liuqin; Li, Ziyin; Wang, Lihua; Ma, Xiuling; Chen, Qian-Huo; Zhang, Zhangjing; Xiang, Shengchang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	55
Journal issue	1
Pages of publication	292
a	14.0241 ± 0.0007 Å
b	14.0241 ± 0.0007 Å
c	19.9373 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3921.2 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.2499
Weighted residual factors for all reflections included in the refinement	0.2703
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
175668 (current)	2016-02-04	cif/ Adding structures of 4344839, 4344840, 4344841, 4344842, 4344843 via cif-deposit CGI script.	4344843.cif