Information card for entry 2202534

Structure parameters

• Formula: C6 H14 Cl4 Co N2
• Calculated formula: C6 H14 Cl4 Co N2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[NH+]12CC[NH+](CC1)CC2
• Title of publication: 1,4-Diazoniabicyclo[2.2.2]octane tetrachlorocobaltate
• Authors of publication: Bremner, Colin A.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m425 - m426
• a: 9.4875 ± 0.0002 Å
• b: 6.7174 ± 0.0002 Å
• c: 18.3121 ± 0.0005 Å
• α: 90°
• β: 92.842 ± 0.0001°
• γ: 90°
• Cell volume: 1165.62 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0784
• 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