Information card for entry 2222903

Structure parameters

• Chemical name: 1,4-Diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II) monohydrate
• Formula: C6 H16 Br4 Cd N2 O
• Calculated formula: C6 H16 Br4 Cd N2 O
• SMILES: [Cd](Br)(Br)([Br-])[Br-].O.[NH+]12CC[NH+](CC1)CC2
• Title of publication: 1,4-Diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II) monohydrate
• Authors of publication: Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m973
• a: 8.6323 ± 0.0001 Å
• b: 11.8736 ± 0.0002 Å
• c: 13.5619 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1390.05 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.356
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes