Information card for entry 2223722

Structure parameters

• Chemical name: {5,5'-dihydroxy-2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) methanol disolvate
• Formula: C22 H22 N2 Ni O6
• Calculated formula: C22 H22 N2 Ni O6
• SMILES: c12[N]3=Cc4c(O[Ni]53Oc3c(C=[N]5c1cccc2)ccc(c3)O)cc(cc4)O.OC.OC
• Title of publication: A new Schiff base nickel(II) complex: {5,5'-dihydroxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) methanol disolvate
• Authors of publication: Niu, Meiju; Liu, Guihua; Wang, Daqi; Dou, Jianmin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1357
• a: 15.673 ± 0.003 Å
• b: 15.09 ± 0.002 Å
• c: 8.868 ± 0.0002 Å
• α: 90°
• β: 104.593 ± 0.003°
• γ: 90°
• Cell volume: 2029.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes