Information card for entry 2217026

Structure parameters

• Chemical name: Diaquabis(picolinato N-oxide-κ^2^<i>O</i>,<i>O</i>')zinc(II)
• Formula: C12 H12 N2 O8 Zn
• Calculated formula: C12 H12 N2 O8 Zn
• SMILES: c12C(=O)O[Zn]3([O]=n1cccc2)([OH2])(OC(=O)c1ccccn1=[O]3)[OH2]
• Title of publication: Diaquabis(picolinato <i>N</i>-oxide-κ^2^<i>O</i>,<i>O</i>')zinc(II)
• Authors of publication: Li, Xiu-Bing; Shang, Run-Ling; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m131 - m131
• a: 6.6837 ± 0.0005 Å
• b: 15.7376 ± 0.0013 Å
• c: 6.9935 ± 0.0006 Å
• α: 90°
• β: 115.37 ± 0.001°
• γ: 90°
• Cell volume: 664.67 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes