Information card for entry 2238197

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)cobalt(II) dihydrate
• Formula: C10 H14 Co N4 O8
• Calculated formula: C10 H14 Co N4 O8
• SMILES: c12cccn[n]2[Co]2(OC1=O)([OH2])([n]1c(cccn1)C(=O)O2)[OH2].O.O
• Title of publication: <i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)cobalt(II) dihydrate
• Authors of publication: Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m420 - m421
• a: 5.2934 ± 0.0004 Å
• b: 7.2817 ± 0.0008 Å
• c: 9.6196 ± 0.0009 Å
• α: 79.673 ± 0.008°
• β: 89.875 ± 0.007°
• γ: 72.321 ± 0.008°
• Cell volume: 347.01 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0575
• 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