Information card for entry 2220512

Structure parameters

• Chemical name: Diaquabis(5-methylpyridine-2-carboxylato-κ^2^N,O)zinc(II)
• Formula: C14 H16 N2 O6 Zn
• Calculated formula: C14 H16 N2 O6 Zn
• SMILES: C1(=O)c2ccc(c[n]2[Zn]2(O1)([OH2])([n]1c(C(=O)O2)ccc(c1)C)[OH2])C
• Title of publication: Diaquabis(5-methylpyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc(II)
• Authors of publication: Du, Lian-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m106
• a: 5.1703 ± 0.0006 Å
• b: 6.462 ± 0.001 Å
• c: 12.2781 ± 0.0014 Å
• α: 104.678 ± 0.002°
• β: 90.646 ± 0.001°
• γ: 109.493 ± 0.002°
• Cell volume: 372.01 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes