Information card for entry 2232041

Structure parameters

• Chemical name: Diaquabis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dihydrate
• Formula: C12 H18 Co N4 O8
• Calculated formula: C12 H18 Co N4 O8
• SMILES: [Co]12(OC(=O)c3[n]2cc(nc3)C)(OC(=O)c2[n]1cc(nc2)C)([OH2])[OH2].O.O
• Title of publication: Diaquabis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)cobalt(II) dihydrate
• Authors of publication: Shi, Qi-Ying; Zhang, Guo-Chun; Zhou, Chun-Sheng; Yang, Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1430
• a: 10.092 ± 0.003 Å
• b: 13.588 ± 0.004 Å
• c: 12.287 ± 0.004 Å
• α: 90°
• β: 102.961 ± 0.006°
• γ: 90°
• Cell volume: 1642 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0746
• 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