Information card for entry 2216141

Structure parameters

• Chemical name: Aqua{5,5'-dihydroxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^O,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) trihydrate
• Formula: C20 H22 N2 O8 Zn
• Calculated formula: C20 H22 N2 O8 Zn
• SMILES: [Zn]123(Oc4cc(O)ccc4C=[N]2c2ccccc2[N]3=Cc2ccc(O)cc2O1)[OH2].O.O.O
• Title of publication: Aqua{5,5'-dihydroxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}zinc(II) trihydrate
• 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: 11
• Pages of publication: m2838 - m2839
• a: 4.7462 ± 0.0001 Å
• b: 13.929 ± 0.0002 Å
• c: 15.1128 ± 0.0002 Å
• α: 82.147 ± 0.001°
• β: 82.367 ± 0.001°
• γ: 85.64 ± 0.001°
• Cell volume: 979.26 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0514
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes