Information card for entry 2208267

Structure parameters

• Chemical name: Bis(2,6-dimethylpyridyl)iodinium dibromoiodate
• Formula: C14 H18 Br2 I2 N2
• Calculated formula: C14 H18 Br2 I2 N2
• SMILES: [n]1(c(C)cccc1C)[I][n]1c(C)cccc1C.[I-](Br)Br
• Title of publication: Bis(2,6-dimethylpyridyl)iodonium dibromoiodate
• Authors of publication: Batsanov, Andrei S.; Lightfoot, Andrew P.; Twiddle, Steven J. R.; Whiting, Andrew
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o901 - o902
• a: 7.5777 ± 0.0007 Å
• b: 8.261 ± 0.0007 Å
• c: 8.58 ± 0.0007 Å
• α: 99.09 ± 0.01°
• β: 101.45 ± 0.01°
• γ: 114.2 ± 0.01°
• Cell volume: 462.62 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes