Crystallography Open Database

Information card for entry 4133766

Preview

Coordinates	4133766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 Cu3 N10 O5
Calculated formula	C16 H15 Cu3 N10 O5
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	43.54745 ± 0.00012 Å
b	43.54745 ± 0.00012 Å
c	43.54745 ± 0.00012 Å
α	90°
β	90°
γ	90°
Cell volume	82582.5 ± 0.4 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 K
Number of distinct elements	5
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	0.0504
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4133766.cif