Information card for entry 2213915

Structure parameters

• Chemical name: Aqua{4,4'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^O,O',N,N'}zinc(II)
• Formula: C22 H20 N2 O5 Zn
• Calculated formula: C22 H20 N2 O5 Zn
• SMILES: c12ccc(cc1C=[N]1[Zn]3(O2)([N](=Cc2c(ccc(c2)OC)O3)c2c1cccc2)[OH2])OC
• Title of publication: Aqua{4,4'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>O</i>',<i>N</i>,<i>N</i>'}zinc(II)
• 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: 6
• Pages of publication: m1633 - m1634
• a: 23.3617 ± 0.0007 Å
• b: 4.9121 ± 0.0001 Å
• c: 7.9431 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 911.51 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes