Crystallography Open Database

Information card for entry 1549027

Preview

Coordinates	1549027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 N6 O8 Zn2
Calculated formula	C48 H30 N6 O8 Zn2
Title of publication	Selective carbon dioxide sorption by a new breathing three-dimensional Zn-MOF with Lewis basic nitrogen-rich channels.
Authors of publication	Kim, Hyun-Chul; Huh, Seong; Lee, Do Nam; Kim, Youngmee
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	14
Pages of publication	4820 - 4826
a	10.7074 ± 0.0007 Å
b	14.8797 ± 0.001 Å
c	15.0461 ± 0.001 Å
α	112.453 ± 0.003°
β	94.452 ± 0.003°
γ	108.095 ± 0.003°
Cell volume	2052.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2389
Weighted residual factors for all reflections included in the refinement	0.2434
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
229765 (current)	2019-11-17	cif/ Updating files of 1549026, 1549027 Original log message: Adding full bibliography for 1549026--1549027.cif.	1549027.cif
206799	2018-03-07	cif/ Adding structures of 1549026, 1549027 via cif-deposit CGI script.	1549027.cif