Information card for entry 2015167

Structure parameters

• Common name: 1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate
• Formula: C10 H21 I2 N3
• Calculated formula: C10 H21 I2 N3
• Title of publication: 1,4-Dimethyl-1,4-diazoniabicyclo[2.2.2]octane diiodide acetonitrile solvate
• Authors of publication: Janzen, Daron E.; Ewbank, Paul C.; Mann, Kent R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o631 - o633
• a: 20.174 ± 0.003 Å
• b: 7.343 ± 0.001 Å
• c: 10.614 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1572.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes