Information card for entry 4510987

Structure parameters

• Chemical name: bis(2-hydroxyl-pyridine-n-oxide)Zinc-2,2'-bipyridine
• Formula: C20 H16 N4 O4 Zn
• Calculated formula: C20 H16 N4 O4 Zn
• SMILES: c12ccccn1=[O][Zn]13([n]4c(c5cccc[n]15)cccc4)(Oc1ccccn1=[O]3)O2
• Title of publication: Modifying Lipophilicities of Zn(II) Coordination Species by Introduction of Ancillary Ligands: A Supramolecular Chemistry Approach
• Authors of publication: Ma, Zhenbo; Hopson, Russell; Cai, Chen; Han, Shuangbing; Moulton, Brian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 2376
• a: 9.5912 ± 0.0019 Å
• b: 15.983 ± 0.003 Å
• c: 24.334 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3730.3 ± 1.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No