Information card for entry 2229439

Structure parameters

• Common name: Magnesium pyridazinate hydrate
• Chemical name: <i>trans</i>-Tetraaquabis(pyridazine-4-carboxylato-κ<i>O</i>)magnesium(II) dihydrate
• Formula: C10 H18 Mg N4 O10
• Calculated formula: C10 H18 Mg N4 O10
• SMILES: c1(ccnnc1)C(=O)O[Mg]([OH2])([OH2])(OC(c1cnncc1)=O)([OH2])[OH2].O.O
• Title of publication: <i>trans</i>-Tetraaquabis(pyridazine-4-carboxylato-κ<i>O</i>)magnesium(II) dihydrate
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m316
• a: 7.2571 ± 0.0015 Å
• b: 11.688 ± 0.002 Å
• c: 10.55 ± 0.002 Å
• α: 90°
• β: 108.36 ± 0.03°
• γ: 90°
• Cell volume: 849.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes