Information card for entry 2221818

Structure parameters

• Chemical name: {6,6'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate
• Formula: C21 H27.57 N2 Ni O5.79
• Calculated formula: C21 H27.57 N2 Ni O5.785
• Title of publication: {6,6'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}nickel(II) 1.78-hydrate
• Authors of publication: Yeap, Chin Sing; Kia, Reza; Kargar, Hadi; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m570 - m571
• a: 23.2513 ± 0.0006 Å
• b: 9.2709 ± 0.0002 Å
• c: 20.8024 ± 0.0005 Å
• α: 90°
• β: 111.291 ± 0.001°
• γ: 90°
• Cell volume: 4178.12 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0742
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes