Crystallography Open Database

Information card for entry 4347879

Preview

Coordinates	4347879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cu2 N2 O10
Calculated formula	C20 H12 Cu2 N2 O10
Title of publication	A Microporous Metal-Organic Framework with Lewis Basic Nitrogen Sites for High C2H2 Storage and Significantly Enhanced C2H2/CO2 Separation at Ambient Conditions.
Authors of publication	Wen, Hui-Min; Wang, Huizhen; Li, Bin; Cui, Yuanjing; Wang, Hailong; Qian, Guodong; Chen, Banglin
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7214 - 7218
a	18.5944 ± 0.0006 Å
b	18.5944 ± 0.0006 Å
c	38.012 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	11381.9 ± 0.7 Å³
Cell temperature	99.98 ± 0.14 K
Ambient diffraction temperature	99.98 ± 0.14 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.2036
Weighted residual factors for all reflections included in the refinement	0.2126
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232558 (current)	2019-11-23	cif/ Adding structures of 4347879 via cif-deposit CGI script.	4347879.cif