Crystallography Open Database

Information card for entry 1570090

Preview

Coordinates	1570090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H4 N2 O2.25 Zn
Calculated formula	C5.001 H4.0008 N2.0004 O2.2504 Zn
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	20.1526 ± 0.00014 Å
b	20.1526 ± 0.00014 Å
c	20.1526 ± 0.00014 Å
α	90°
β	90°
γ	90°
Cell volume	8184.52 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0565
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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.	1570090.cif
286854	2023-10-10	cif/ Adding structures of 1570090, 1570091, 1570092 via cif-deposit CGI script.	1570090.cif