Information card for entry 2209893

Structure parameters

• Chemical name: {2,2'-[Ethane-1,2-diylbisnitrilomethylidyne)]diphenoxyacetato}zinc(II) methanol solvate
• Formula: C21 H22 N2 O7 Zn
• Calculated formula: C21 H22 N2 O7 Zn
• SMILES: C1(=O)C[O]2c3ccccc3C=[N]3CC[N]4=Cc5ccccc5[O]5CC(=O)O[Zn]2345O1.CO
• Title of publication: {2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenoxyacetato}zinc(II) methanol solvate
• Authors of publication: Jing Wang; Dong-Sheng Zhu; Kui-Zhan Shao; Lin Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1884 - m1886
• a: 8.2 ± 0.002 Å
• b: 18.274 ± 0.005 Å
• c: 14.191 ± 0.004 Å
• α: 90°
• β: 101.974 ± 0.005°
• γ: 90°
• Cell volume: 2080.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0945
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes