Information card for entry 2004383

Structure parameters

• Chemical name: Bis(acetato)bis(pyridine-2-amidoxime-N,N')nickel(II) - Ethanol (1/2)
• Formula: C20 H32 N6 Ni O8
• Calculated formula: C20 H32 N6 Ni O8
• SMILES: C1(c2cccc[n]2[Ni]2([N]=1O)(OC(=O)C)([n]1c(C(N)=[N]2O)cccc1)OC(=O)C)N.CCO.CCO
• Title of publication: Bis(acetato)bis(pyridine-2-amidoxime-<i>N</i>,<i>N</i>')nickel(II)‒Ethanol (1/2)
• Authors of publication: Werner, M.; Berner, J.; Jones, P. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 72 - 74
• a: 15.915 ± 0.002 Å
• b: 10.777 ± 0.002 Å
• c: 14.387 ± 0.002 Å
• α: 90°
• β: 92.681 ± 0.012°
• γ: 90°
• Cell volume: 2464.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.0899
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No