Information card for entry 2206389

Structure parameters

• Common name: [N,N'-Bis(3-methylsalicylidene)-1,3-propanediaminato]nickel(II)
• Chemical name: {6,6'-Dimethyl-2,2'-[propane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C19 H20 N2 Ni O2
• Calculated formula: C19 H20 N2 Ni O2
• SMILES: c12c(cccc1C=[N]1CCC[N]3[Ni]1(O2)Oc1c(cccc1C=3)C)C
• Title of publication: [<i>N</i>,<i>N</i>'-Bis(3-methylsalicylidene)-1,3-propanediaminato]nickel(II)
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1637 - m1638
• a: 7.529 ± 0.002 Å
• b: 10.399 ± 0.002 Å
• c: 21.555 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1687.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: A 21 a m
• Hall space group symbol: A -2 2a
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes