Information card for entry 2228015

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C24 H22 N2 Ni O4
• Calculated formula: C24 H22 N2 Ni O4
• SMILES: [Ni]123Oc4c(C=[N]3c3c([N]2=Cc2c(O1)cccc2OC)cc(c(c3)C)C)c(OC)ccc4
• Title of publication: {6,6'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Authors of publication: Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz; Sahraei, Atefeh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1246
• a: 12.8057 ± 0.0006 Å
• b: 12.6514 ± 0.0005 Å
• c: 13.0263 ± 0.0006 Å
• α: 90°
• β: 101.73 ± 0.002°
• γ: 90°
• Cell volume: 2066.32 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes