Crystallography Open Database

Information card for entry 4348324

Preview

Coordinates	4348324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 F18 N2 S4
Calculated formula	C10 H10 F18 N2 S4
SMILES	c1cc(cc[nH+]1)c1cc[nH+]cc1.FS(F)(F)F.FS(F)(F)F.[F-].FS(F)(F)F.FS(F)(F)F.[F-]
Title of publication	Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.
Authors of publication	Goettel, James T.; Kostiuk, Nathan; Gerken, Michael
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	14
Pages of publication	7126 - 7134
a	16.53 ± 0.013 Å
b	16.53 ± 0.013 Å
c	8.322 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2274 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
232875 (current)	2019-11-23	cif/ Adding structures of 4348316, 4348317, 4348318, 4348319, 4348320, 4348321, 4348322, 4348323, 4348324 via cif-deposit CGI script.	4348324.cif