Crystallography Open Database

Information card for entry 4519131

4519130 << 4519131 >> 4519132

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Coordinates	4519131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 N4 O6 S2
Calculated formula	C20 H18 N4 O6 S2
SMILES	S(=O)(=O)([O-])c1c2ccc(S(=O)(=O)[O-])cc2ccc1.[n+]1(N)ccc(c2cc[n+](N)cc2)cc1
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	7.1525 ± 0.0009 Å
b	19.669 ± 0.002 Å
c	14.3443 ± 0.0016 Å
α	90°
β	90.578 ± 0.007°
γ	90°
Cell volume	2017.9 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	4519131.cif