Information card for entry 2234567

Structure parameters

• Chemical name: (4-Aza-1-azoniabicyclo[2.2.2]octane-κ<i>N</i>^4^)trichloridocobalt(II)
• Formula: C6 H13 Cl3 Co N2
• Calculated formula: C6 H13 Cl3 Co N2
• SMILES: [Co](Cl)(Cl)(Cl)[N]12CC[NH+](CC2)CC1
• Title of publication: (4-Aza-1-azoniabicyclo[2.2.2]octane-κ<i>N</i>^4^)trichloridocobalt(II)
• Authors of publication: Zhou, Qinqin; Zhu, Bo-Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m675
• a: 6.6873 ± 0.0013 Å
• b: 12.433 ± 0.003 Å
• c: 6.9298 ± 0.0014 Å
• α: 90°
• β: 116.96 ± 0.03°
• γ: 90°
• Cell volume: 513.5 ± 0.2 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: 0.025
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes