Crystallography Open Database

Information card for entry 4303520

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Structure parameters

Common name	bis(acetonitrile)iodonium hexafluoroarsenate
Formula	C4 H6 As F6 I N2
Calculated formula	C4 H6 As F6 I N2
SMILES	CC#[N][I+][N]#CC.[As](F)(F)(F)(F)(F)[F-]
Title of publication	Does [I3]+ Act as an "[I]+" Donor to CH3CN and N2O? Structure of [H3CCN-I-NCCH3]+[AsF6]-
Authors of publication	Margaret-Jane Crawford; Michael Göbel; Konstantin Karaghiosoff; Thomas M. Klapötke; Jan M. Welch
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9983 - 9985
a	10.1087 ± 0.0001 Å
b	10.1087 ± 0.0001 Å
c	10.1087 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1032.97 ± 0.018 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0143
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.0355
Goodness-of-fit parameter for all reflections included in the refinement	0.877
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
301836 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure.	4303520.cif
179073	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/35.	4303520.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303520.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303520.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303520.cif