Information card for entry 2238948

Structure parameters

• Chemical name: Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate
• Formula: C8 H34 Co N4 O14 S2
• Calculated formula: C8 H34 Co N4 O14 S2
• SMILES: S(=O)(=O)([O-])[O-].C1C[NH2+]CC[NH]1[Co]([OH2])([OH2])([NH]1CC[NH2+]CC1)([OH2])[OH2].O.S(=O)(=O)([O-])[O-].O
• Title of publication: Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate
• Authors of publication: Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m649 - m650
• a: 12.187 ± 0.002 Å
• b: 12.98 ± 0.002 Å
• c: 13.437 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2125.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.099
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No