Information card for entry 2221792

Structure parameters

• Chemical name: 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridozincate monohydrate
• Formula: C6 H16 Cl4 N2 O Zn
• Calculated formula: C6 H16 Cl4 N2 O Zn
• SMILES: C1C[NH+]2CC[NH+]1CC2.[Cl-][Zn](Cl)(Cl)[Cl-].O
• Title of publication: 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridozincate monohydrate
• Authors of publication: Wang, Fangming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m575
• a: 8.4483 ± 0.0017 Å
• b: 11.705 ± 0.002 Å
• c: 12.976 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.2 ± 0.5 ų
• Cell temperature: 291 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes