Information card for entry 2222251

Structure parameters

• Chemical name: {4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C21 H24 N2 Ni O4
• Calculated formula: C21 H24 N2 Ni O4
• SMILES: [Ni]123Oc4ccc(cc4C=[N]2CC(C[N]3=Cc2c(ccc(OC)c2)O1)(C)C)OC
• Title of publication: {4,4'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)
• Authors of publication: Montazerozohori, Morteza; Habibi, Mohammad Hossein; Mokhtari, Reza; Yamane, Yuki; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m703
• a: 15.611 ± 0.0007 Å
• b: 9.1151 ± 0.0005 Å
• c: 26.8142 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3815.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes