Information card for entry 2205448

Structure parameters

• Chemical name: 1,4-Diazoniabicyclo[2,2,2]octane hexaaquacobalt(II) bis(sulfate)
• Formula: C6 H26 Co N2 O14 S2
• Calculated formula: C6 H26 Co N2 O14 S2
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].[NH+]12CC[NH+](CC1)CC2
• Title of publication: 1,4-Diazoniabicyclo[2.2.2]octane hexaaquacobalt(II) bis(sulfate)
• Authors of publication: Ya-Juan Zhao; Xin-Hua Li; Shun Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m671 - m672
• a: 12.0488 ± 0.0008 Å
• b: 12.1842 ± 0.0008 Å
• c: 12.139 ± 0.0008 Å
• α: 90°
• β: 104.2 ± 0.01°
• γ: 90°
• Cell volume: 1727.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes