Information card for entry 4303520

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 ų
• 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 Fobs: No