Information card for entry 2239174

Structure parameters

• Chemical name: Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)
• Formula: C10 H26 N4 Ni O14 S2
• Calculated formula: C10 H26 N4 Ni O14 S2
• SMILES: c1(cc[nH+]cc1)N.[OH2][Ni]([OH2])([OH2])([OH2])([OH2])[OH2].O=S(=O)([O-])[O-].c1(cc[nH+]cc1)N.[O-]S(=O)(=O)[O-]
• Title of publication: Bis(4-aminopyridinium) hexaaquanickel(II) bis(sulfate)
• Authors of publication: Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: m6
• a: 6.212 ± 0.002 Å
• b: 7.015 ± 0.003 Å
• c: 12.422 ± 0.002 Å
• α: 100.61 ± 0.03°
• β: 99.26 ± 0.02°
• γ: 99.57 ± 0.02°
• Cell volume: 514.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0565
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes