Information card for entry 2200238

Structure parameters

• Chemical name: Zn(1-aza-4-azinium-bicyclo[2.2.2]octane)trichloride
• Formula: C6 H13 Cl3 N2 Zn
• Calculated formula: C6 H13 Cl3 N2 Zn
• SMILES: [Zn](Cl)(Cl)(Cl)[N]12CC[NH](CC2)CC1
• Title of publication: (1-Aza-4-aziniobicyclo[2.2.2]octane-<i>N</i>^1^)trichlorozinc(II)
• Authors of publication: Wei, Mingyi; Willett, Roger D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m167 - m168
• a: 6.7475 ± 0.001 Å
• b: 12.5446 ± 0.0016 Å
• c: 6.9788 ± 0.0017 Å
• α: 90°
• β: 116.43 ± 0.014°
• γ: 90°
• Cell volume: 528.98 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes