Crystallography Open Database

Information card for entry 1570091

Preview

Coordinates	1570091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C160.03 H32.01 F96.02 N64.01 O72.01 Zn32
Calculated formula	C160.032 H32.0064 F96.0192 N64.0128 O72.0128 Zn32
Title of publication	Surface engineering on a microporous metal-organic framework to boost ethane/ethylene separation under humid conditions.
Authors of publication	Xie, Xiao-Jing; Wang, Ying; Cao, Qi-Yun; Krishna, Rajamani; Zeng, Heng; Lu, Weigang; Li, Dan
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	42
Pages of publication	11890 - 11895
a	20.1868 ± 0.0004 Å
b	20.1868 ± 0.0004 Å
c	20.1868 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	8226.3 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
287304 (current)	2023-11-06	cif/ Updating files of 1570090, 1570091, 1570092 Original log message: Adding full bibliography for 1570090--1570092.cif.	1570091.cif
286854	2023-10-10	cif/ Adding structures of 1570090, 1570091, 1570092 via cif-deposit CGI script.	1570091.cif