Information card for entry 2212717

Structure parameters

• Chemical name: Diaqua(5-methylpyrazine-2-carboxylato-κ^2^N,O)zinc(II)
• Formula: C12 H14 N4 O6 Zn
• Calculated formula: C12 H14 N4 O6 Zn
• SMILES: C1(=O)O[Zn]2([n]3c1cnc(c3)C)([n]1c(cnc(c1)C)C(=O)O2)([OH2])[OH2]
• Title of publication: Diaqua(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc(II)
• Authors of publication: Guang Fan; San-Ping Chen; Sheng-Li Gao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m774 - m775
• a: 5.2511 ± 0.0005 Å
• b: 6.4694 ± 0.0006 Å
• c: 12.343 ± 0.001 Å
• α: 104.418 ± 0.001°
• β: 91.396 ± 0.002°
• γ: 108.612 ± 0.001°
• Cell volume: 382.39 ± 0.06 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0207
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes