Crystallography Open Database

Information card for entry 1558512

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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

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558512.cif
254042	2020-07-07	cif/ Adding structures of 1558511, 1558512, 1558513 via cif-deposit CGI script.	1558512.cif