Crystallography Open Database

Information card for entry 7235109

Preview

Coordinates	7235109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.31 H7.91 Cu N2 O9
Calculated formula	C14.31 H7.9 Cu N2 O9
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	18.3138 ± 0.0002 Å
b	18.3138 ± 0.0002 Å
c	69.7479 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	20259 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 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	0.0812
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2366
Weighted residual factors for all reflections included in the refinement	0.2405
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	7235109.cif