Crystallography Open Database

Information card for entry 1554210

Preview

Coordinates	1554210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.5 H2.5 Cu0.5 N0.25 O3
Calculated formula	C5.5 H2.5 Cu0.5 N0.25 O3
Title of publication	Enhancing light hydrocarbon storage and separation through introducing Lewis basic nitrogen sites within a carboxylate-decorated copper‒organic framework
Authors of publication	Liu, Xiuping; Fan, Weidong; Zhang, Minghui; Li, Guixia; Liu, Haijun; Sun, Daofeng; Zhao, Lianming; Zhu, Houyu; Guo, Wenyue
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	6
Pages of publication	1146
a	18.5961 ± 0.0002 Å
b	18.5961 ± 0.0002 Å
c	38.21 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	11443.3 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0705
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.2013
Weighted residual factors for all reflections included in the refinement	0.2083
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237019 (current)	2019-11-24	cif/ Adding structures of 1554210 via cif-deposit CGI script.	1554210.cif