Crystallography Open Database

Information card for entry 4515224

Preview

Coordinates	4515224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 F6 N4 O4 S2
Calculated formula	C8 H10 F6 N4 O4 S2
SMILES	c1(cccc([n+]1C)N)N.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F
Title of publication	Pyridinium Containing Amide Based Polymeric Ionic Liquids for CO2/CH4 Separation
Authors of publication	Zulfiqar, Sonia; Mantione, Daniele; El Tall, Omar; Ruipérez, Fernando; Sarwar, Muhammad Ilyas; Rothenberger, Alexander; Mecerreyes, David
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2019
Journal volume	7
Journal issue	12
Pages of publication	10241
a	11.21892 ± 0.00011 Å
b	11.41336 ± 0.00011 Å
c	47.0823 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6028.68 ± 0.1 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220324 (current)	2019-10-29	cif/ Adding structures of 4515224 via cif-deposit CGI script.	4515224.cif