Crystallography Open Database

Information card for entry 4514555

Preview

Coordinates	4514555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.98 H Ni O4.98
Calculated formula	C5.98 H Ni O4.98
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	26.15 ± 0.004 Å
b	26.15 ± 0.004 Å
c	6.721 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	3980.2 ± 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	0.0701
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1969
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
219740 (current)	2019-10-28	cif/ Adding structures of 4514555 via cif-deposit CGI script.	4514555.cif