Crystallography Open Database

Information card for entry 4514553

Preview

Coordinates	4514553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.56 H Mg O4.56
Calculated formula	C5.562 H Mg O4.562
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	25.822 ± 0.004 Å
b	25.822 ± 0.004 Å
c	6.935 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	4004.6 ± 1.2 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	0.0499
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1472
Goodness-of-fit parameter for all reflections included in the refinement	0.838
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219738 (current)	2019-10-28	cif/ Adding structures of 4514553 via cif-deposit CGI script.	4514553.cif