Crystallography Open Database

Information card for entry 4133765

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Coordinates	4133765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 Cu N9 O4 Zn2
Calculated formula	C13 H8 Cu N9 O4 Zn2
Title of publication	Cage-Interconnected Metal-Organic Framework with Tailored Apertures for Efficient C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> Separation under Humid Conditions.
Authors of publication	Zeng, Heng; Xie, Xiao-Jing; Xie, Mo; Huang, Yong-Liang; Luo, Dong; Wang, Ting; Zhao, Yifang; Lu, Weigang; Li, Dan
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	43.5489 ± 0.0003 Å
b	43.5489 ± 0.0003 Å
c	43.5489 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	82590.8 ± 1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	226
Hermann-Mauguin space group symbol	F m -3 c
Hall space group symbol	-F 4a 2 3
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
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
245111 (current)	2019-12-14	cif/ Adding structures of 4133765, 4133766 via cif-deposit CGI script.	4133765.cif