Information card for entry 2014955

Structure parameters

• Chemical name: Bis{1-[N-(2-methoxyphenyl)iminomethyl]naphthalen-2(1H)-onato- κ^3^O,N,O'}zinc(II) ethanol solvate
• Formula: C38 H34 N2 O5 Zn
• Calculated formula: C38 H34 N2 O5 Zn
• SMILES: [Zn]1234(Oc5c(c6c(cc5)cccc6)C=[N]1c1c([O]2C)cccc1)Oc1c(c2c(cc1)cccc2)C=[N]3c1c([O]4C)cccc1.OCC
• Title of publication: Bis{1-[<i>N</i>-(2-methoxyphenyl)iminomethyl]naphthalen-2(1<i>H</i>)-onato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}zinc(II) ethanol solvate
• Authors of publication: Đilović, Ivica; Matković-Čalogović, Dubravka; Popović, Zora; Roje, Vibor
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m351 - m352
• a: 10.2078 ± 0.0015 Å
• b: 10.9122 ± 0.0014 Å
• c: 16.7214 ± 0.001 Å
• α: 96.55 ± 0.016°
• β: 98.113 ± 0.008°
• γ: 115.592 ± 0.012°
• Cell volume: 1630.8 ± 0.4 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes