Information card for entry 2225664

Structure parameters

• Chemical name: 1,4-Diazoniabicyclo[2.2.2]octane tetrachloroiodate(III) chloride
• Formula: C6 H14 Cl5 I N2
• Calculated formula: C6 H14 Cl5 I N2
• Title of publication: 1,4-Diazoniabicyclo[2.2.2]octane tetrachloroiodate(III) chloride
• Authors of publication: Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o788
• a: 8.1496 ± 0.0016 Å
• b: 21.904 ± 0.004 Å
• c: 7.7184 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1377.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes