Crystallography Open Database

Information card for entry 4514945

Preview

Coordinates	4514945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H18 Cu N4 O14
Calculated formula	C34 H18 Cu N4 O14
Title of publication	Selective Adsorption of Water, Methanol, and Ethanol by Naphthalene Diimide-Based Coordination Polymers with Constructed Open Cu<sup>2+</sup> Metal Sites and Separation of Ethanol/Acetonitrile.
Authors of publication	Li, Guo-Bi; Song, Bai-Qiao; Wang, Shi-Qiang; Pei, Ling-Min; Liu, Sheng-Gui; Song, Jiang-Li; Yang, Qing-Yuan
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	1
Pages of publication	1995 - 2000
a	17.033 ± 0.002 Å
b	28.521 ± 0.006 Å
c	15.29 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7428 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1795
Residual factor for significantly intense reflections	0.1284
Weighted residual factors for significantly intense reflections	0.3211
Weighted residual factors for all reflections included in the refinement	0.3441
Goodness-of-fit parameter for all reflections included in the refinement	1.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220111 (current)	2019-10-28	cif/ Adding structures of 4514945 via cif-deposit CGI script.	4514945.cif