Information card for entry 2211870

Structure parameters

• Chemical name: Diaquabis(2-methylpyrazine-5-carboxylato)cobalt(II)
• Formula: C12 H14 Co N4 O6
• Calculated formula: C12 H14 Co N4 O6
• SMILES: c12cnc(c[n]1[Co]1([OH2])([n]3c(cnc(c3)C)C(=O)O1)(OC2=O)[OH2])C
• Title of publication: Diaquabis(2-methylpyrazine-5-carboxylato)cobalt(II)
• Authors of publication: Liu, Fu-Ying; Shang, Rui-Ling; Du, Lin; Zhao, Qi-Hua; Fang, Rui-Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m120 - m122
• a: 5.1051 ± 0.001 Å
• b: 6.3653 ± 0.0013 Å
• c: 12.281 ± 0.003 Å
• α: 103.53 ± 0.03°
• β: 91.06 ± 0.03°
• γ: 108.28 ± 0.03°
• Cell volume: 366.59 ± 0.16 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: 0.0309
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes