Information card for entry 2222409

Structure parameters

• Chemical name: Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino)-2-phenylacetato]zinc(II) dimethyl sulfoxide solvate
• Formula: C17 H21 N O6 S Zn
• Calculated formula: C17 H21 N O6 S Zn
• SMILES: c1(ccccc1)C1C(=O)O[Zn]2(Oc3c(C=[N]12)cccc3)([OH2])[OH2].CS(C)=O
• Title of publication: Diaqua[(<i>E</i>)-2-(2-oxidobenzylideneamino)-2-phenylacetato]zinc(II) dimethyl sulfoxide monosolvate
• Authors of publication: You, Jun; Liu, Bo; Pang, Yu-Jing; Wu, Qing-Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m734
• a: 7.331 ± 0.004 Å
• b: 9.318 ± 0.005 Å
• c: 14.578 ± 0.009 Å
• α: 81.91 ± 0.02°
• β: 81.37 ± 0.02°
• γ: 80.18 ± 0.02°
• Cell volume: 963.3 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes