Information card for entry 2228850

Structure parameters

• Common name: {4,4'-Dimethoxy-2,2'-[4,5-dimethyl-o-phenylenebis(nitrilomethylidyne)] diphenolato}nickel(II)
• Chemical name: {5,5'-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)cc(OC)cc2)cc(c(c3)C)C)ccc(OC)c4
• Title of publication: {5,5'-Dimethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Authors of publication: Sahraei, Atefeh; Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m82 - m83
• a: 11.3244 ± 0.001 Å
• b: 16.5528 ± 0.0019 Å
• c: 12.1622 ± 0.0011 Å
• α: 90°
• β: 113.261 ± 0.006°
• γ: 90°
• Cell volume: 2094.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes