Crystallography Open Database

Information card for entry 4116386

Preview

Structure parameters

Chemical name	Trichloroniumhexafluoroarsenate
Formula	As Cl3 F6
Calculated formula	As Cl3 F6
SMILES	[As](F)(F)(F)(F)([F-])F.[Cl+](Cl)Cl
Title of publication	The Cl2O2+ Cation: Preparation and Structural Investigation of Cl2O2+SbF6- and Cl2O2+Sb2F11-
Authors of publication	Thomas Drews; Wolfram Koch; Konrad Seppelt
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	4379 - 4384
a	7.045 ± 0.002 Å
b	11.001 ± 0.003 Å
c	9.299 ± 0.004 Å
α	90°
β	94.42 ± 0.04°
γ	90°
Cell volume	718.5 ± 0.4 Å³
Cell temperature	130 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0301
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4116386.cif
178934	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/63.	4116386.cif
71000	2013-01-15	cif/ Adding structures of 4116386 via cif-deposit CGI script.	4116386.cif