Information card for entry 2239392

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II)
• Formula: C10 H10 Cu N4 O6
• Calculated formula: C10 H10 Cu N4 O6
• SMILES: c12cccn[n]2[Cu]2(OC1=O)([OH2])([n]1c(cccn1)C(=O)O2)[OH2]
• Title of publication: <i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)copper(II)
• Authors of publication: Pache, Aroa; Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: m114 - m115
• a: 5.4014 ± 0.0001 Å
• b: 11.5633 ± 0.0003 Å
• c: 9.6283 ± 0.0002 Å
• α: 90°
• β: 101.837 ± 0.003°
• γ: 90°
• Cell volume: 588.58 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes