Information card for entry 2210548

Structure parameters

• Chemical name: trans-Bis{2-[(4-hydroxyphenethylimino)methyl]phenolato}zinc(II) monohydrate
• Formula: C30 H30 N2 O5 Zn
• Calculated formula: C30 H30 N2 O5 Zn
• SMILES: O.[Zn]12([N](=Cc3c(O1)cccc3)CCc1ccc(O)cc1)[N](=Cc1c(cccc1)O2)CCc1ccc(O)cc1
• Title of publication: <i>trans</i>-Bis{2-[(4-hydroxyphenethylimino)methyl]phenolato}zinc(II) monohydrate
• Authors of publication: Xu, Hua-Jie; Liu, Zhao-Di; Sheng, Liang-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2695 - m2697
• a: 15.533 ± 0.003 Å
• b: 10.822 ± 0.002 Å
• c: 16.003 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690.1 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes