Crystallography Open Database

Information card for entry 7118489

Preview

Coordinates	7118489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H121 Cu6 N17 O54
Calculated formula	C54 H21 Cu6 N9 O30
Title of publication	Significant enhancement of gas uptake capacity and selectivity via the judicious increase of open metal sites and Lewis basic sites within two polyhedron-based metal-organic frameworks.
Authors of publication	Liu, Bing; Yao, Shuo; Shi, Chao; Li, Guanghua; Huo, Qisheng; Liu, Yunling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	15
Pages of publication	3223 - 3226
a	26.956 ± 0.004 Å
b	26.956 ± 0.004 Å
c	39.145 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	28444 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	5
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.1246
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.2344
Weighted residual factors for all reflections included in the refinement	0.2587
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
177660 (current)	2016-03-05	cif/ Updating files of 7118489, 7118490 Original log message: Adding full bibliography for 7118489--7118490.cif.	7118489.cif
174555	2016-01-19	cif/ Adding structures of 7118489, 7118490 via cif-deposit CGI script.	7118489.cif