Crystallography Open Database

Information card for entry 7235112

Preview

Coordinates	7235112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Cu N2 O5
Calculated formula	C14 H8 Cu N2 O5
Title of publication	Unusual adsorption behaviours and responsive structural dynamics via selective gate effects of an hourglass porous metal‒organic framework
Authors of publication	Xiong, Ying; Fan, Yan-Zhong; Wei, Zhang-Wen; Chen, Cheng-Xia; Chen, Sha; Wang, Dawei; Barboiu, Mihail; Jiang, Ji-Jun; Su, Cheng-Yong
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	64
Pages of publication	37222
a	17.9678 ± 0.0016 Å
b	17.9678 ± 0.0016 Å
c	69.263 ± 0.01 Å
α	90°
β	90°
γ	120°
Cell volume	19365 ± 4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1619
Residual factor for significantly intense reflections	0.1193
Weighted residual factors for significantly intense reflections	0.3263
Weighted residual factors for all reflections included in the refinement	0.365
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227860 (current)	2019-11-15	cif/ Adding structures of 7235109, 7235110, 7235111, 7235112 via cif-deposit CGI script.	7235112.cif