Information card for entry 2221629

Structure parameters

• Chemical name: {6,6'-Diethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) dihydrate
• Formula: C26 H30 N2 Ni O6
• Calculated formula: C26 H30 N2 Ni O6
• SMILES: c1c2C=[N]3c4cc(C)c(cc4[N]4[Ni]3(Oc2c(cc1)OCC)Oc1c(cccc1C=4)OCC)C.O.O
• Title of publication: {6,6'-Diethoxy-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) dihydrate
• Authors of publication: Kargar, Hadi; Kia, Reza; Jamshidvand, Arezoo; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m498 - m499
• a: 12.8706 ± 0.0004 Å
• b: 16.113 ± 0.0004 Å
• c: 11.8546 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2458.45 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes