Crystallography Open Database

Information card for entry 4519132

4519131 << 4519132 >> 4519133

Preview

Coordinates	4519132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N4 O8 S2
Calculated formula	C20 H22 N4 O8 S2
SMILES	S(=O)(=O)([O-])c1cc2c(cc1)ccc(S(=O)(=O)[O-])c2.[n+]1(N)ccc(c2cc[n+](N)cc2)cc1.O.O
Title of publication	Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.
Authors of publication	Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	47
Pages of publication	56566 - 56574
a	15.2513 ± 0.0008 Å
b	13.8071 ± 0.0008 Å
c	20.4803 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4312.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
271015 (current)	2021-12-03	cif/ Adding structures of 4519131, 4519132, 4519133, 4519134 via cif-deposit CGI script.	4519132.cif