Information card for entry 2228211

Structure parameters

• Chemical name: 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II)
• Formula: C8 H15 Br4 Cd N3
• Calculated formula: C8 H15 Br4 Cd N3
• SMILES: [Cd](Br)(Br)([Br-])[Br-].C(#N)C[N+]12CC[NH+](CC1)CC2
• Title of publication: 1-Cyanomethyl-1,4-diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II)
• Authors of publication: Wei, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1672
• a: 8.61 ± 0.003 Å
• b: 14.071 ± 0.004 Å
• c: 12.702 ± 0.004 Å
• α: 90°
• β: 94.136 ± 0.004°
• γ: 90°
• Cell volume: 1534.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes