Information card for entry 2212617

Structure parameters

• Chemical name: Diaqua(5-methylpyrazine-2-carboxylato-κ^2^N,O)cobalt(II)
• Formula: C12 H14 Co N4 O6
• Calculated formula: C12 H14 Co N4 O6
• SMILES: c1(c[n]2[Co]3([OH2])([n]4c(cnc(c4)C)C(=O)O3)(OC(=O)c2cn1)[OH2])C
• Title of publication: Diaqua(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)
• Authors of publication: Fan, Guang; Chen, San-Ping; Gao, Sheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m772 - m773
• a: 5.1068 ± 0.0007 Å
• b: 6.3725 ± 0.0008 Å
• c: 12.29 ± 0.002 Å
• α: 103.574 ± 0.0001°
• β: 91.057 ± 0.002°
• γ: 108.309 ± 0.002°
• Cell volume: 367.26 ± 0.09 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: 0.0393
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes