Information card for entry 2237331

Structure parameters

• Chemical name: Bis(2-amino-4-methylpyrimidin-1-ium) hexaaquacobalt(II) disulfate dihydrate
• Formula: C10 H32 Co N6 O16 S2
• Calculated formula: C10 H32 Co N6 O16 S2
• SMILES: c1(nc(C)cc[nH+]1)N.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].O.c1(nc(cc[nH+]1)C)N.[O-]S(=O)(=O)[O-].O
• Title of publication: Bis(2-amino-4-methylpyrimidin-1-ium) hexaaquacobalt(II) disulfate dihydrate
• Authors of publication: Mirzaei, M.; Eshtiagh-Hosseini, H.; Zarghami, S.; Karrabi, Z.; Saeedi, M.; Mague, J. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m128
• a: 6.4116 ± 0.0006 Å
• b: 7.7751 ± 0.0007 Å
• c: 13.0423 ± 0.0012 Å
• α: 80.136 ± 0.001°
• β: 80.413 ± 0.001°
• γ: 73.231 ± 0.001°
• Cell volume: 608.57 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes