Information card for entry 2214126

Structure parameters

• Chemical name: (Ethanol-κO){4,4',6,6'-tetra-tert-butyl-2,2'-[1,2- phenylenebis(nitrilomethylidyne)]diphenolato- κ^4^O,<i>O</i>',<i>N</i>,<i>N</i>'}zinc(II) ethanol solvate
• Formula: C40 H58 N2 O4 Zn
• Calculated formula: C40 H58 N2 O4 Zn
• SMILES: [Zn]123(Oc4c(cc(cc4C=[N]2c2ccccc2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[OH]CC.OCC
• Title of publication: (Ethanol-κ<i>O</i>){4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>O</i>',<i>N</i>,<i>N</i>'}zinc(II) ethanol solvate
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun; Kamarulazizi Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2024 - m2025
• a: 13.0909 ± 0.0003 Å
• b: 24.8935 ± 0.0006 Å
• c: 11.6289 ± 0.0003 Å
• α: 90°
• β: 92.303 ± 0.001°
• γ: 90°
• Cell volume: 3786.55 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0642
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes