Information card for entry 2237433

Structure parameters

• Common name: Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)
• Formula: C8 H10 Co N4 O6
• Calculated formula: C8 H10 Co N4 O6
• SMILES: c12c[nH]c[n]2[Co]2(OC1=O)([OH2])([n]1c[nH]cc1C(=O)O2)[OH2]
• Title of publication: Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)
• Authors of publication: Artetxe, Beñat; San Felices, Leire; Pache, Aroa; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m94
• a: 7.1236 ± 0.0016 Å
• b: 11.6305 ± 0.0002 Å
• c: 13.5496 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1122.6 ± 0.3 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes