Information card for entry 2226897

Structure parameters

• Chemical name: Bis(2,6-diaminopyridin-1-ium) hexaaquacobalt(II) disulfate dihydrate
• Formula: C10 H32 Co N6 O16 S2
• Calculated formula: C10 H32 Co N6 O16 S2
• SMILES: c1(cccc([nH+]1)N)N.[O-]S(=O)(=O)[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(cccc([nH+]1)N)N.O=S(=O)([O-])[O-].O
• Title of publication: Bis(2,6-diaminopyridin-1-ium) hexaaquacobalt(II) disulfate dihydrate
• Authors of publication: Al-Dajani, Mohammad T. M.; Wahab, Habibah A.; Mohamed, Nornisah; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m917 - m918
• a: 6.6219 ± 0.0001 Å
• b: 14.4347 ± 0.0002 Å
• c: 24.759 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2366.59 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes