Crystallography Open Database

Information card for entry 1549026

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Coordinates	1549026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C159 H132 N23 O29 Zn6
Calculated formula	C159 H132 N23 O29 Zn6
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	16.255 ± 0.003 Å
b	18.811 ± 0.004 Å
c	23.568 ± 0.004 Å
α	90°
β	93.435 ± 0.009°
γ	90°
Cell volume	7194 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1803
Residual factor for significantly intense reflections	0.1197
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1549026.cif
206799	2018-03-07	cif/ Adding structures of 1549026, 1549027 via cif-deposit CGI script.	1549026.cif