Information card for entry 2228603

Structure parameters

• Chemical name: Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato- κ^2^<i>N</i>,<i>N</i>'}zinc(II) dihydrate
• Formula: C26 H26 N4 O10 Zn
• Calculated formula: C26 H26 N4 O10 Zn
• SMILES: c1cccc2C=[N](c3ccc(O)c(c3)C(=O)[O-])[Zn]3([n]12)([OH2])([n]1ccccc1C=[N]3c1ccc(O)c(c1)C(=O)[O-])[OH2].O.O
• Title of publication: Diaquabis{2-hydroxy-5-[(pyridin-2-yl)methylideneamino]benzoato-κ^2^<i>N</i>,<i>N</i>'}zinc(II) dihydrate
• Authors of publication: Bing, Yue; Li, Xing; Zha, Meiqin; Lu, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1524 - m1525
• a: 15.812 ± 0.002 Å
• b: 10.6962 ± 0.0015 Å
• c: 15.636 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2644.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes