Crystallography Open Database

Information card for entry 4514554

Preview

Coordinates	4514554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20.33 Mg2 O12.33
Calculated formula	C14 H20 Mg2 O12.1666
Title of publication	Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.
Authors of publication	Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	7
Pages of publication	7014 - 7021
a	25.951 ± 0.004 Å
b	25.951 ± 0.004 Å
c	13.632 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	7951 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.091
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2288
Weighted residual factors for all reflections included in the refinement	0.2386
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219739 (current)	2019-10-28	cif/ Adding structures of 4514554 via cif-deposit CGI script.	4514554.cif