Information card for entry 2239331

Structure parameters

• Common name: 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate
• Chemical name: 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate
• Formula: C6 H16 Cd Cl4 N2 O
• Calculated formula: C6 H16 Cd Cl4 N2 O
• SMILES: [Cd](Cl)(Cl)([Cl-])[Cl-].C1C[NH+]2CC[NH+]1CC2.O
• Title of publication: 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate
• Authors of publication: Ben Rhaiem, Tarek; Boughzala, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: m178
• a: 8.528 ± 0.005 Å
• b: 11.653 ± 0.002 Å
• c: 13.114 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1303.2 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes