Information card for entry 2231061

Structure parameters

• Chemical name: Homopiperazine-1,4-diium bis[hexaaquacobalt(II)] trisulfate
• Formula: C5 H38 Co2 N2 O24 S3
• Calculated formula: C5 H38 Co2 N2 O24 S3
• SMILES: C1CC[NH2+]CC[NH2+]1.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].O=S(=O)([O-])[O-]
• Title of publication: Homopiperazine-1,4-diium bis[hexaaquacobalt(II)] trisulfate
• Authors of publication: Sahbani, Thameur; Smirani Sta, Wajda; S. Al-Deyab, Salem; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1079
• a: 14.109 ± 0.002 Å
• b: 11.73 ± 0.003 Å
• c: 16.696 ± 0.005 Å
• α: 90°
• β: 106.65 ± 0.02°
• γ: 90°
• Cell volume: 2647.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.1751
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes