Information card for entry 2219338

Structure parameters

• Chemical name: Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-κ^2^N,N')zinc(II)
• Formula: C20 H16 N4 O5 Zn
• Calculated formula: C20 H16 N4 O5 Zn
• SMILES: c1ccc(c2[n]1[Zn]1([OH2])([n]3cccc(c3c3c(ccc[n]13)O)[O-])[n]1c2c(ccc1)O)[O-]
• Title of publication: Aquabis(3'-hydroxy-2,2'-bipyridine-3-olato-κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Authors of publication: Zhang, Shi Guo; Hou, Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1131
• a: 13.931 ± 0.002 Å
• b: 9.1685 ± 0.0016 Å
• c: 14.364 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes