Information card for entry 2211517

Structure parameters

• Common name: zinc pyridazinedicarboxylate
• Chemical name: Bis(μ-pyridazine-3,6-carboxylato-κ^4^N,O:N',O')bis[diaquazinc(II)]
• Formula: C12 H12 N4 O12 Zn2
• Calculated formula: C12 H12 N4 O12 Zn2
• SMILES: C1(=O)O[Zn]23([n]4c(ccc5C(=O)O[Zn]6([n]45)([n]4c(ccc1[n]24)C(=O)O6)([OH2])[OH2])C(=O)O3)([OH2])[OH2]
• Title of publication: Bis(μ-pyridazine-3,6-carboxylato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>')bis[diaquazinc(II)]
• Authors of publication: Michał Gryz; Wojciech Starosta; Janusz Leciejewicz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3470 - m3472
• a: 13.393 ± 0.003 Å
• b: 8.8039 ± 0.0018 Å
• c: 14.622 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1724.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes