Information card for entry 2221302

Structure parameters

• Chemical name: Tetraaquabis[3-(2-pyridylsulfanyl)propionato N-oxide]nickel(II)
• Formula: C16 H24 N2 Ni O10 S2
• Calculated formula: C16 H24 N2 Ni O10 S2
• SMILES: C(CC(=O)O[Ni]([OH2])([OH2])(OC(=O)CCSc1ccccn1=O)([OH2])[OH2])Sc1ccccn1=O
• Title of publication: Tetraaquabis[3-(2-pyridylsulfanyl)propionato <i>N</i>-oxide]nickel(II)
• Authors of publication: Ravindran Durai Nayagam, B.; Jebas, Samuel Robinson; Edward Rajkumar, J. P.; Schollmeyer, Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m470
• a: 4.8155 ± 0.0005 Å
• b: 8.765 ± 0.001 Å
• c: 12.956 ± 0.0015 Å
• α: 86.4 ± 0.002°
• β: 79.501 ± 0.002°
• γ: 84.929 ± 0.002°
• Cell volume: 534.98 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0211
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes