Crystallography Open Database

Information card for entry 1558512

Preview

Coordinates	1558512.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pentafluorophenyl mesityl methyl telluronium tetrafluoroborate
Formula	C16 H14 B F9 Te
Calculated formula	C16 H14 B F9 Te
SMILES	[Te]([F][B](F)(F)F)(c1c(C)cc(cc1C)C)(c1c(F)c(F)c(F)c(F)c1F)C
Title of publication	Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties
Authors of publication	Zhou, Benyu; Gabbaï, François P.
Journal of publication	Chemical Science
Year of publication	2020
a	12.377 ± 0.0014 Å
b	11.7628 ± 0.0014 Å
c	13.8733 ± 0.0017 Å
α	90°
β	115.705 ± 0.004°
γ	90°
Cell volume	1819.9 ± 0.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 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	0.0324
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1558512.html