Information card for entry 2231817

Structure parameters

• Chemical name: Diaquabis(5-methylpyrazine-2-carboxylato- κ^2^<i>N</i>^1^,<i>O</i>^2^)cadmium
• Formula: C12 H14 Cd N4 O6
• Calculated formula: C12 H14 Cd N4 O6
• SMILES: [Cd]12(OC(=O)c3[n]1cc(nc3)C)(OC(=O)c1[n]2cc(nc1)C)([OH2])[OH2]
• Title of publication: Diaquabis(5-methylpyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)cadmium
• Authors of publication: Albanez, Joselyn; Brito, Iván; Cárdenas, Alejandro; López-Rodríguez, Matías
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1339 - m1340
• a: 7.29 ± 0.0015 Å
• b: 7.532 ± 0.0015 Å
• c: 14.09 ± 0.003 Å
• α: 87.31 ± 0.03°
• β: 81.36 ± 0.03°
• γ: 80.78 ± 0.03°
• Cell volume: 754.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes