Crystallography Open Database

Information card for entry 7237662

Preview

Coordinates	7237662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 N2 Ni2 O8
Calculated formula	C30 H36 N2 Ni2 O8
Title of publication	Pore environment engineering in metal‒organic frameworks for efficient ethane/ethylene separation
Authors of publication	Wang, Xun; Niu, Zheng; Al-Enizi, Abdullah M.; Nafady, Ayman; Wu, Yufang; Aguila, Briana; Verma, Gaurav; Wojtas, Lukasz; Chen, Yu-Sheng; Li, Zhong; Ma, Shengqian
Journal of publication	Journal of Materials Chemistry A
Year of publication	2019
Journal volume	7
Journal issue	22
Pages of publication	13585
a	10.85 ± 0.0007 Å
b	10.85 ± 0.0007 Å
c	9.2239 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1085.86 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238483 (current)	2019-11-24	cif/ Adding structures of 7237662 via cif-deposit CGI script.	7237662.cif