Crystallography Open Database

Information card for entry 7236672

Preview

Coordinates	7236672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 Cu2 O11
Calculated formula	C29 H18 Cu2 O11
Title of publication	Selective adsorption of C2H2 and CO2 from CH4 in an isoreticular series of MOFs constructed from unsymmetrical diisophthalate linkers and the effect of alkoxy group functionalization on gas adsorption
Authors of publication	Chen, Fengli; Wang, Yao; Bai, Dongjie; He, Minghui; Gao, Xiaoxia; He, Yabing
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	8
Pages of publication	3471
a	18.6086 ± 0.0003 Å
b	18.6086 ± 0.0003 Å
c	23.4526 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	7033.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1137
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.25
Weighted residual factors for all reflections included in the refinement	0.2696
Goodness-of-fit parameter for all reflections included in the refinement	1.189
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
236408 (current)	2019-11-24	cif/ Adding structures of 7236670, 7236671, 7236672 via cif-deposit CGI script.	7236672.cif