Information card for entry 2219417

Structure parameters

• Chemical name: {5,5'-Dihydroxy-2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) dihydrate
• Formula: C20 H18 N2 Ni O6
• Calculated formula: C20 H18 N2 Ni O6
• SMILES: c12ccccc2[N]2=Cc3c(cc(cc3)O)O[Ni]32[N]1=Cc1c(O3)cc(cc1)O.O.O
• Title of publication: {5,5'-Dihydroxy-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) dihydrate
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Mirkhani, Valiollah; Zargoshi, Hasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1181 - m1182
• a: 10.9049 ± 0.0002 Å
• b: 17.6602 ± 0.0003 Å
• c: 9.0375 ± 0.0003 Å
• α: 90°
• β: 101.15 ± 0.001°
• γ: 90°
• Cell volume: 1707.61 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0796
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes