Information card for entry 2218084

Structure parameters

• Chemical name: (Acetone-κ<i>O</i>){6,6'-di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II)
• Formula: C31 H36 N2 O3 Zn
• Calculated formula: C31 H36 N2 O3 Zn
• SMILES: c12c(cccc1C=[N]1c3c(cccc3)[N]3[Zn]1(O2)([O]=C(C)C)Oc1c(cccc1C=3)C(C)(C)C)C(C)(C)C
• Title of publication: (Acetone-κ<i>O</i>){6,6'-di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II)
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m738 - m739
• a: 10.5803 ± 0.0016 Å
• b: 16.3602 ± 0.0019 Å
• c: 15.729 ± 0.002 Å
• α: 90°
• β: 94.446 ± 0.01°
• γ: 90°
• Cell volume: 2714.4 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes