Crystallography Open Database

Information card for entry 7238042

Preview

Coordinates	7238042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H33 N5 O12 Zn3
Calculated formula	C51 H33 N5 O12 Zn3
Title of publication	A microporous zinc‒organic framework with Lewis basic pyridyl sites for highly selective C2H2/CH4 and C2H2/CO2 gas separation
Authors of publication	Yan, Peng; Yang, Jucai; Hao, Xiangying; Chen, Zhisheng; Shen, Guanhua; Zhao, Yanhua; Ma, Deyun; Zhu, Jiaxin
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	2
Pages of publication	275 - 282
a	14.3343 ± 0.0012 Å
b	25.123 ± 0.002 Å
c	18.1924 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	6551.5 ± 0.9 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	0.8
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
257466 (current)	2020-10-06	cif/ Updating files of 7238042 Original log message: Adding full bibliography for 7238042.cif.	7238042.cif
247678	2020-02-04	cif/ Updating files of 7238042 Original log message: Adding full bibliography for 7238042.cif.	7238042.cif
242596	2019-11-26	cif/ Adding structures of 7238042 via cif-deposit CGI script.	7238042.cif