Information card for entry 2008356

Structure parameters

• Common name: Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate
• Chemical name: Copper(II)diaquadi(3,6-dicarboxylatopyridazinium)dihydrate
• Formula: C12 H14 Cu N4 O12
• Calculated formula: C12 H14 Cu N4 O12
• SMILES: c1(ccc2C(=O)O[Cu]3([n]2[nH+]1)([OH2])([n]1c(ccc(C(=O)[O-])[nH+]1)C(=O)O3)[OH2])C(=O)[O-].O.O
• Title of publication: Diaquabis(pyridazin-1-ium-3,6-dicarboxylato-<i>N</i>^2^,<i>O</i>^3^)copper(II) dihydrate
• Authors of publication: Sobanska, Sophie; Lagrenee, Michel; Wignacourt, Jean-Pierre; Holt, Elizabeth M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 553 - 555
• a: 5.406 ± 0.004 Å
• b: 6.512 ± 0.004 Å
• c: 13.118 ± 0.005 Å
• α: 74.52 ± 0.03°
• β: 79.4 ± 0.03°
• γ: 70.3 ± 0.03°
• Cell volume: 416.7 ± 0.4 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: 0.038
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No